UCSF

ZINC34681862

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 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) 4.23 12.27 -39.41 2 7 1 68 461.586 7
Lo Low (pH 4.5-6) 4.23 12.59 -95.07 3 7 2 69 462.594 7

Activity (Go SEA)

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