UCSF

ZINC52259859

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 16 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) 1.91 4.81 -47.97 1 4 -1 70 288.117 4
Lo Low (pH 4.5-6) 1.91 2.84 -10.01 2 4 0 67 289.125 4

Activity (Go SEA)

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