UCSF

ZINC16777393

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 25 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) 3.38 8 -18.04 2 6 0 80 336.395 7
Hi High (pH 8-9.5) 3.84 7.88 -42.97 1 6 -1 83 335.387 7

Activity (Go SEA)

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