UCSF

ZINC06046902

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2006 17 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) 2.59 7.22 -42.41 1 4 1 34 241.355 3
Mid Mid (pH 6-8) 2.59 5 -5.3 0 4 0 33 240.347 3

Activity (Go SEA)

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