UCSF

ZINC05807414

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 31 Yes

Other Names:

MFCD01541539

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) 7.73 16.63 -11.13 1 2 0 29 396.493 3
Mid Mid (pH 6-8) 7.73 16.7 -29.12 2 2 1 30 397.501 3

Activity (Go SEA)

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