UCSF

ZINC34681836

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 28 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) 4.20 12.5 -42 2 5 1 50 381.544 5
Mid Mid (pH 6-8) 4.20 12.85 -96.94 3 5 2 51 382.552 5

Activity (Go SEA)

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