UCSF

ZINC20094118

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 3.22 6.54 -4.65 1 2 0 15 272.367 6
Mid Mid (pH 6-8) 3.22 10.12 -116.03 3 2 2 21 274.383 6

Activity (Go SEA)

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