UCSF

ZINC20114013

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 23 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) 1.91 6 -49.68 1 6 -1 99 348.381 1
Mid Mid (pH 6-8) 2.36 4.88 -110.01 0 6 -2 102 347.373 1

Activity (Go SEA)

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