UCSF

ZINC00014779

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 22 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) 3.80 6.64 -11.54 2 4 0 58 295.317 1
Lo Low (pH 4.5-6) 3.80 7.05 -39.25 3 4 1 59 296.325 1

Activity (Go SEA)

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