UCSF

ZINC53709331

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2010 17 Yes

Other Names:

MFCD17099072

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) 2.98 8.24 -10.22 2 3 0 43 223.279 1
Mid Mid (pH 6-8) 2.98 8.2 -24.8 3 3 1 45 224.287 1

Activity (Go SEA)

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