UCSF

ZINC12953377

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 16 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.99 -10.3 -47.89 5 9 -1 170 258.228 7
Ref Reference (pH 7) -4.99 -9.48 -48.01 5 9 -1 170 258.228 7
Mid Mid (pH 6-8) -4.99 -9.18 -74.11 6 9 0 172 259.236 7
Mid Mid (pH 6-8) -4.83 -11.24 -96.58 5 9 -2 176 257.22 6
Mid Mid (pH 6-8) -4.83 -11.37 -64.04 6 9 -1 178 258.228 6
Mid Mid (pH 6-8) -4.99 -9.95 -83.47 6 9 0 172 259.236 7
Mid Mid (pH 6-8) -4.99 -10.55 -73.92 6 9 0 172 259.236 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.