UCSF

ZINC59697718

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 28 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) 4.44 9.88 -12.53 2 4 0 54 367.452 5
Lo Low (pH 4.5-6) 4.44 10.34 -45.86 3 4 1 55 368.46 5

Activity (Go SEA)

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