UCSF

ZINC40403621

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 22 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) 3.10 11.12 -86.25 1 5 0 62 303.406 8
Mid Mid (pH 6-8) 3.10 11.41 -104.09 2 5 1 64 304.414 8

Activity (Go SEA)

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