UCSF

ZINC34559170

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 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) 3.36 3.64 -50.03 0 6 -1 84 343.384 5
Lo Low (pH 4.5-6) 3.36 4.01 -13.58 1 6 0 81 344.392 5

Activity (Go SEA)

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