UCSF

ZINC34874228

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 37 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) 6.20 15.5 -11.22 1 4 0 55 485.631 9
Lo Low (pH 4.5-6) 6.20 15.96 -40.89 2 4 1 56 486.639 9

Activity (Go SEA)

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