UCSF

ZINC00908802

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 29 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) 2.99 4.5 -11.56 3 8 0 98 397.431 6
Mid Mid (pH 6-8) 2.62 2.02 -37.11 4 8 1 103 398.439 6

Activity (Go SEA)

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