UCSF

ZINC21981509

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 23 Yes

Other Names:

MFCD09264109

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) 3.49 8.04 -49.17 2 4 1 52 314.405 8
Mid Mid (pH 6-8) 3.49 6.76 -8.97 1 4 0 48 313.397 8

Activity (Go SEA)

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