UCSF

ZINC41654938

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 2.72 5.61 -49.39 3 3 1 46 244.314 4
Hi High (pH 8-9.5) 2.72 5.29 -6.58 2 3 0 44 243.306 4

Activity (Go SEA)

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