UCSF

ZINC20406317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 25 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) 4.52 11.52 -35.87 1 3 1 17 339.503 8
Hi High (pH 8-9.5) 4.52 9.21 -5.21 0 3 0 16 338.495 8
Mid Mid (pH 6-8) 4.52 11.52 -38.97 1 3 1 17 339.503 8

Activity (Go SEA)

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