UCSF

ZINC22798271

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 29 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) 3.08 5.52 -52.63 2 7 1 72 438.957 6
Mid Mid (pH 6-8) 3.08 3.05 -13.25 1 7 0 71 437.949 6

Activity (Go SEA)

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