UCSF

ZINC00723969

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 26 Yes

Other Names:

MFCD02971598

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) 2.85 9.25 -10.79 2 7 0 85 350.357 3
Lo Low (pH 4.5-6) 3.03 9.58 -37.46 3 7 1 90 351.365 3

Activity (Go SEA)

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