UCSF

ZINC69901893

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 12 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) 0.34 0.76 -39.2 3 3 1 40 175.296 7
Mid Mid (pH 6-8) 0.34 1.95 -28.17 3 3 1 40 175.296 7
Mid Mid (pH 6-8) 0.34 2.34 -111.17 4 3 2 41 176.304 7

Activity (Go SEA)

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