UCSF

ZINC31978202

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 2.01 4.24 -37.3 3 4 1 43 270.784 4
Mid Mid (pH 6-8) 2.01 4.17 -37.72 3 4 1 43 270.784 4
Mid Mid (pH 6-8) 2.01 1.78 -4.66 2 4 0 42 269.776 4

Activity (Go SEA)

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