UCSF

ZINC13685874

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 13 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) 1.20 5.93 -39.29 3 3 1 45 182.291 7
Mid Mid (pH 6-8) 1.20 6.4 -81.19 4 3 2 47 183.299 7
Mid Mid (pH 6-8) 1.20 5.89 -41.68 3 3 1 45 182.291 7

Activity (Go SEA)

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