UCSF

ZINC59675693

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 15 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) 1.85 5.91 -44.54 2 2 1 20 207.272 1
Hi High (pH 8-9.5) 1.85 4.83 -3.41 1 2 0 15 206.264 1

Activity (Go SEA)

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