UCSF

ZINC36322224

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 20 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) 2.76 4.77 -50.1 3 3 1 40 289.321 4
Mid Mid (pH 6-8) 2.76 4.53 -4.25 2 3 0 38 288.313 4

Activity (Go SEA)

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