UCSF

ZINC35784055

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 15 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) 1.15 1.89 -1.4 2 3 0 38 212.337 1
Lo Low (pH 4.5-6) 1.15 3.76 -30.09 3 3 1 40 213.345 1
Lo Low (pH 4.5-6) 1.15 4 -116.56 4 3 2 41 214.353 1

Activity (Go SEA)

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