UCSF

ZINC34671677

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 6.01 14.35 -13.53 1 4 0 42 456.63 8
Lo Low (pH 4.5-6) 6.01 16.17 -43.1 2 4 1 43 457.638 8

Activity (Go SEA)

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