UCSF

ZINC04372115

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 23 Yes

Other Names:

MFCD02943494

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) 3.39 7.04 -11.69 2 4 0 59 323.421 2
Lo Low (pH 4.5-6) 3.39 7.36 -33.08 3 4 1 60 324.429 2

Activity (Go SEA)

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