UCSF

ZINC36950489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 11 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) 0.16 1.73 -94.74 4 3 2 41 162.277 5
Hi High (pH 8-9.5) 0.16 -0.7 -35.18 3 3 1 40 161.269 5
Mid Mid (pH 6-8) 0.16 2.3 -39.2 3 3 1 44 161.269 5

Activity (Go SEA)

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