UCSF

ZINC40768192

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 17 No

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) 1.01 3.34 -44.67 3 4 1 46 258.411 4
Mid Mid (pH 6-8) 1.01 4.55 -96.2 4 4 2 50 259.419 4
Mid Mid (pH 6-8) 1.19 2.18 -43.86 3 4 1 56 258.411 4

Activity (Go SEA)

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