UCSF

ZINC25387629

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 34 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) 5.51 11.67 -76.85 2 5 1 53 505.973 5
Mid Mid (pH 6-8) 5.51 10.22 -14.51 1 5 0 52 504.965 5
Mid Mid (pH 6-8) 5.97 11.44 -44.43 1 5 0 57 504.965 5
Mid Mid (pH 6-8) 5.51 13.56 -61.09 2 5 1 53 505.973 5

Activity (Go SEA)

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