UCSF

ZINC12954057

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 16 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) -3.57 1.59 -97 6 7 1 127 227.244 5
Hi High (pH 8-9.5) -3.57 0.73 -61.9 4 7 -1 124 225.228 5
Mid Mid (pH 6-8) -3.57 1.04 -70.5 5 7 0 126 226.236 5

Activity (Go SEA)

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