UCSF

ZINC36732249

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 2.84 4.32 -41.7 4 4 1 60 296.479 7
Mid Mid (pH 6-8) 2.84 5.74 -36.19 4 4 1 60 296.479 7

Activity (Go SEA)

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