UCSF

ZINC04666874

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2005 18 Yes

Other Names:

MFCD01859617

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) 0.76 3.24 -59.07 1 6 -1 88 258.294 6
Lo Low (pH 4.5-6) 0.76 1.97 -11.38 2 6 0 85 259.302 6

Activity (Go SEA)

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