UCSF

ZINC00246920

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

Other Names:

MFCD03872156

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) 3.83 0.36 -11.1 0 3 0 27 286.762 4
Mid Mid (pH 6-8) 0.42 0.53 -30.69 1 3 1 28 287.77 4

Activity (Go SEA)

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