UCSF

ZINC04295517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 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) 1.55 6.84 -11.39 0 5 0 63 292.294 1
Lo Low (pH 4.5-6) 1.55 7.29 -41.46 1 5 1 65 293.302 1

Activity (Go SEA)

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