UCSF

ZINC31933381

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 12 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) 1.28 2.93 -12.38 1 3 0 38 162.192 1
Mid Mid (pH 6-8) 1.28 3.37 -27.53 2 3 1 39 163.2 1

Activity (Go SEA)

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