UCSF

ZINC44117171

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 19 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) 3.00 3.74 -2.91 1 3 0 33 269.429 2
Mid Mid (pH 6-8) 3.00 5.65 -31.96 2 3 1 34 270.437 2

Activity (Go SEA)

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