UCSF

ZINC20299249

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 19 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) 2.64 8.04 -37.95 2 3 1 37 261.389 4
Mid Mid (pH 6-8) 2.64 6.88 -7.84 1 3 0 32 260.381 4

Activity (Go SEA)

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