UCSF

ZINC36788728

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.22 5.36 -40.34 3 2 1 31 273.803 6
Mid Mid (pH 6-8) 3.22 7 -109.32 4 2 2 32 274.811 6

Activity (Go SEA)

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