UCSF

ZINC37393593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 0.95 0.3 -53.02 4 5 1 69 270.397 5
Mid Mid (pH 6-8) 0.95 2.57 -108.49 5 5 2 70 271.405 5
Mid Mid (pH 6-8) 0.95 -0.05 -6.44 3 5 0 68 269.389 5

Activity (Go SEA)

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