UCSF

ZINC19872340

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 19 Yes

Other Names:

MFCD07411638

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) 1.48 2.72 -4.62 1 4 0 28 263.385 6
Mid Mid (pH 6-8) 1.48 4.12 -43.98 2 4 1 32 264.393 6
Lo Low (pH 4.5-6) 1.48 5.04 -37.86 2 4 1 29 264.393 6

Activity (Go SEA)

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