UCSF

ZINC59811998

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 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) 4.41 7.53 -37.78 2 2 1 25 268.808 4
Hi High (pH 8-9.5) 4.41 8.28 -50.9 1 2 0 27 267.8 4

Activity (Go SEA)

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