UCSF

ZINC12885527

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 0.93 3.04 -17.53 2 5 0 69 257.293 2
Mid Mid (pH 6-8) 0.93 3.45 -41.85 3 5 1 70 258.301 2

Activity (Go SEA)

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