UCSF

ZINC34892116

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 23 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) 2.54 7.3 -57.52 4 5 1 75 305.361 4
Hi High (pH 8-9.5) 2.54 6.88 -11.89 3 5 0 73 304.353 4

Activity (Go SEA)

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