UCSF

ZINC13001684

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 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) 5.12 10.35 -6.59 0 2 0 37 322.355 4
Lo Low (pH 4.5-6) 5.12 10.58 -34.44 1 2 1 38 323.363 4

Activity (Go SEA)

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