UCSF

ZINC34595371

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 21 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) 3.06 8.91 -49.12 1 4 -1 69 279.319 4
Lo Low (pH 4.5-6) 3.06 6.93 -9.83 2 4 0 66 280.327 4

Activity (Go SEA)

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