UCSF

ZINC48571306

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 11 No

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) 1.21 3.21 -31.84 2 2 1 25 221.118 2
Mid Mid (pH 6-8) 1.21 0.93 -3.04 1 2 0 23 220.11 2

Activity (Go SEA)

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