UCSF

ZINC42455094

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 1.32 4.22 -34.59 3 4 1 67 191.258 3
Mid Mid (pH 6-8) 1.32 3.75 -8.68 2 4 0 66 190.25 3

Activity (Go SEA)

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