UCSF

ZINC37801261

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 2.50 6.84 -41.43 3 3 1 48 303.348 7
Mid Mid (pH 6-8) 2.50 6.53 -8.35 2 3 0 46 302.34 7

Activity (Go SEA)

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