UCSF

ZINC19683216

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 28 Yes

Other Names:

MFCD03683950

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) 2.37 2.83 -12.71 3 7 0 90 396.472 3
Mid Mid (pH 6-8) 2.37 3.19 -37 4 7 1 91 397.48 3

Activity (Go SEA)

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