UCSF

ZINC34496254

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 10 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) 1.58 2.34 -5.37 3 3 0 55 139.202 1
Mid Mid (pH 6-8) 1.58 2.34 -5.55 3 3 0 55 139.202 1
Mid Mid (pH 6-8) 1.58 2.46 -25.37 4 3 1 56 140.21 1

Activity (Go SEA)

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