UCSF

ZINC08597944

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2007 36 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) 2.83 11.03 -61.24 1 7 1 79 508.595 4
Mid Mid (pH 6-8) 2.83 8.82 -17.46 0 7 0 78 507.587 4

Activity (Go SEA)

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