UCSF

ZINC19795713

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) 0.25 3.06 -100.29 4 4 2 48 225.336 4
Mid Mid (pH 6-8) 0.25 0.68 -46.91 3 4 1 47 224.328 4

Activity (Go SEA)

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