UCSF

ZINC21795547

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 4.53 11.4 -41.87 2 1 1 17 286.414 6
Hi High (pH 8-9.5) 4.53 10.71 -2.58 1 1 0 12 285.406 6

Activity (Go SEA)

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