UCSF

ZINC19872679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 18 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) 0.26 5.28 -89.89 4 3 2 35 253.365 3
Mid Mid (pH 6-8) 0.26 2.91 -49.02 3 3 1 34 252.357 3

Activity (Go SEA)

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