UCSF

ZINC12399149

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 15 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) 0.86 5.59 -51.07 3 3 1 45 202.281 3
Mid Mid (pH 6-8) 0.86 6.05 -83.61 4 3 2 47 203.289 3

Activity (Go SEA)

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