UCSF

ZINC39079671

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 10 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) -1.34 2.14 -110.95 4 4 1 72 147.198 5
Mid Mid (pH 6-8) -1.34 1.76 -45.04 3 4 0 71 146.19 5
Mid Mid (pH 6-8) -1.34 -0.18 -70 3 4 0 71 146.19 5

Activity (Go SEA)

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