UCSF

ZINC00950127

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 26 Yes

Other Names:

MFCD05256478

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) 4.04 -1.07 -14.15 3 6 0 94 369.446 5
Lo Low (pH 4.5-6) 4.04 -1.04 -34.65 4 6 1 95 370.454 5

Activity (Go SEA)

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