UCSF

ZINC19903782

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 21 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) 3.68 9.9 -125.85 3 3 2 30 292.467 7
Hi High (pH 8-9.5) 3.68 7.58 -2.63 1 3 0 24 290.451 7
Mid Mid (pH 6-8) 3.68 7.55 -42.77 2 3 1 29 291.459 7

Activity (Go SEA)

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