UCSF

ZINC19801429

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 16 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) 4.55 8.46 -24.1 1 1 1 14 208.284 0
Mid Mid (pH 6-8) 4.55 8.12 -9.94 0 1 0 13 207.276 0

Activity (Go SEA)

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