UCSF

ZINC19923757

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 31 Yes

Other Names:

MFCD05884396

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) 4.95 14.1 -46.67 1 4 1 26 431.991 6
Mid Mid (pH 6-8) 4.95 11.72 -9.36 0 4 0 24 430.983 6
Mid Mid (pH 6-8) 4.95 13.98 -49.72 1 4 1 26 431.991 6
Lo Low (pH 4.5-6) 4.95 14.49 -98.57 2 4 2 27 432.999 6

Activity (Go SEA)

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