UCSF

ZINC37044476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 2.72 5.05 -41.51 4 3 1 57 243.415 6
Mid Mid (pH 6-8) 2.72 4.71 -5.35 3 3 0 55 242.407 6

Activity (Go SEA)

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