UCSF

ZINC40283624

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 25 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) 2.46 9.37 -10.3 0 4 0 28 333.435 3
Mid Mid (pH 6-8) 2.46 11.58 -45.41 1 4 1 30 334.443 3

Activity (Go SEA)

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