UCSF

ZINC37242387

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 0.88 4.03 -54.2 2 4 1 60 296.412 3
Hi High (pH 8-9.5) 0.88 3.21 -12.75 1 4 0 55 295.404 3

Activity (Go SEA)

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