UCSF

ZINC05584663

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 24 Yes

Other Names:

MFCD02352796

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) 2.81 8.57 -36.86 2 5 1 65 322.388 6
Lo Low (pH 4.5-6) 2.81 8.85 -77.11 3 5 2 67 323.396 6

Activity (Go SEA)

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