UCSF

ZINC00897384

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 25 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) 4.44 10.56 -12.3 1 4 0 47 371.893 5
Mid Mid (pH 6-8) 4.44 11.01 -41.37 2 4 1 48 372.901 5

Activity (Go SEA)

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