UCSF

ZINC11535875

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 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) 1.64 -3.22 -9.37 0 4 0 47 231.28 1
Lo Low (pH 4.5-6) 1.64 -3.12 -47.43 1 4 1 49 232.288 1

Activity (Go SEA)

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