UCSF

ZINC43436222

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 0.27 0.98 -7.55 3 8 0 117 256.262 6
Mid Mid (pH 6-8) 0.73 -0.48 -40.8 2 8 -1 120 255.254 6

Activity (Go SEA)

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