UCSF

ZINC41706242

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) 2.23 6.67 -12.6 0 4 0 34 290.407 4
Mid Mid (pH 6-8) 2.23 8.93 -56.38 1 4 1 36 291.415 4

Activity (Go SEA)

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