UCSF

ZINC01679504

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 31 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) 7.25 13.38 -37.64 3 3 1 45 412.553 5
Hi High (pH 8-9.5) 7.25 14.37 -21.39 2 3 0 48 411.545 5

Activity (Go SEA)

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