UCSF

ZINC02151825

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 24 Yes

Other Names:

MFCD02028974

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) 4.39 -3.21 -9.54 3 4 0 68 337.448 2
Lo Low (pH 4.5-6) 4.39 -3.18 -33.37 4 4 1 69 338.456 2

Activity (Go SEA)

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