UCSF

ZINC41733014

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 18 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) 1.20 7.52 -38.41 3 2 1 33 247.406 1
Hi High (pH 8-9.5) 1.20 7.21 -2.9 2 2 0 31 246.398 1

Activity (Go SEA)

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