UCSF

ZINC19893022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 22 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) 3.59 9.81 -4.91 1 2 0 25 288.394 6
Lo Low (pH 4.5-6) 3.59 10.24 -35.61 2 2 1 26 289.402 6

Activity (Go SEA)

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