UCSF

ZINC19117411

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2008 24 Yes

Other Names:

MFCD01822423

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) 3.28 6.16 -8.05 2 4 0 50 350.266 7
Mid Mid (pH 6-8) 3.28 6.47 -41.91 3 4 1 51 351.274 7

Activity (Go SEA)

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