UCSF

ZINC16953494

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 16 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) 1.95 5.06 -16.17 3 4 0 72 211.224 0
Hi High (pH 8-9.5) 2.40 3.94 -48.24 2 4 -1 75 210.216 0

Activity (Go SEA)

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