UCSF

ZINC34602208

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 24 No

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) 1.63 6.57 -14.83 1 7 0 93 335.356 6
Hi High (pH 8-9.5) 1.63 7.44 -53.5 0 7 -1 96 334.348 6
Hi High (pH 8-9.5) 1.63 7.13 -48.19 0 7 -1 96 334.348 6

Activity (Go SEA)

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