UCSF

ZINC06381127

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 20 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) -1.31 -2.57 -12.97 3 7 0 99 278.264 1
Hi High (pH 8-9.5) -1.31 -1.64 -45.25 2 7 -1 102 277.256 1

Activity (Go SEA)

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