UCSF

ZINC39317297

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 24 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) 3.39 6.99 -36.1 2 3 1 28 361.918 1
Mid Mid (pH 6-8) 3.39 4.61 -4.32 1 3 0 27 360.91 1

Activity (Go SEA)

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