UCSF

ZINC01241576

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 19 No

Other Names:

MFCD03802651

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) 3.92 10.51 -11.3 1 3 0 34 273.405 2
Mid Mid (pH 6-8) 4.64 10.36 -48.28 0 3 -1 31 272.397 2

Activity (Go SEA)

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