UCSF

ZINC13893601

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2008 19 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) 4.41 11.74 -30.98 1 1 1 4 252.381 2
Hi High (pH 8-9.5) 4.41 10.05 -1.97 0 1 0 3 251.373 2

Activity (Go SEA)

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