UCSF

ZINC49455425

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 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) 1.64 6.35 -40.35 3 5 0 84 257.293 2
Mid Mid (pH 6-8) 1.64 5.98 -52.53 2 5 -1 82 256.285 2

Activity (Go SEA)

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