UCSF

ZINC04631558

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2005 21 No

Other Names:

MFCD02642838

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) 2.13 3.04 -8.12 3 5 0 88 284.294 2
Ref Reference (pH 7) 2.13 2.16 -8.56 3 5 0 88 284.294 2
Lo Low (pH 4.5-6) 2.13 3.06 -54.56 4 5 1 89 285.302 2

Activity (Go SEA)

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