UCSF

ZINC17167379

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 24 No

Other Names:

MFCD02954472

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) 4.53 7.95 -11.61 1 5 0 62 339.42 3
Ref Reference (pH 7) 4.53 8.35 -11.3 1 5 0 62 339.42 3
Mid Mid (pH 6-8) 4.04 6.39 -47.74 0 5 -1 60 338.412 4
Lo Low (pH 4.5-6) 4.53 9.3 -41.01 2 5 1 63 340.428 3

Activity (Go SEA)

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