UCSF

ZINC69485775

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 17 Yes

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) -2.80 2.45 -66.07 4 7 -1 137 245.255 7
Mid Mid (pH 6-8) -2.80 2.14 -100.62 3 7 -2 135 244.247 7
Lo Low (pH 4.5-6) -2.80 0.44 -60.14 5 7 0 134 246.263 7

Activity (Go SEA)

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

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