UCSF

ZINC19904179

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 17 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) 4.30 7.52 -3.84 1 1 0 12 314.223 5
Mid Mid (pH 6-8) 4.30 8.94 -53.12 2 1 1 17 315.231 5

Activity (Go SEA)

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