UCSF

ZINC57153807

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2011 26 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) 3.85 13.43 -49.14 1 3 1 25 349.498 4
Hi High (pH 8-9.5) 3.85 11.19 -11.02 0 3 0 24 348.49 4

Activity (Go SEA)

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