UCSF

ZINC28371704

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 17 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) 2.04 4.12 -13.21 2 4 0 57 232.283 5
Lo Low (pH 4.5-6) 2.04 4.63 -28.4 3 4 1 59 233.291 5

Activity (Go SEA)

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