UCSF

ZINC34538354

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 17 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) 4.77 7.97 -7.26 1 3 0 47 236.311 7
Hi High (pH 8-9.5) 4.77 8.98 -48.61 0 3 -1 49 235.303 7

Activity (Go SEA)

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