UCSF

ZINC31863376

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 17 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) 2.68 4.74 -11.03 3 4 0 68 289.136 1
Mid Mid (pH 6-8) 2.68 4.8 -7.54 3 4 0 68 289.136 1

Activity (Go SEA)

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