UCSF

ZINC19937088

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) -0.84 4.87 -46.61 1 5 1 51 235.311 1
Mid Mid (pH 6-8) -0.84 2.48 -7.18 0 5 0 49 234.303 1

Activity (Go SEA)

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