UCSF

ZINC00689088

Substance Information

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

Other Names:

MFCD02607349

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) 5.10 0.07 -9.48 3 4 0 68 379.407 3
Lo Low (pH 4.5-6) 5.10 0.11 -33.59 4 4 1 69 380.415 3

Activity (Go SEA)

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