UCSF

ZINC54965257

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 17 Yes

Other Names:

MFCD01861781

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) -1.93 3.57 -80.45 3 6 0 97 244.291 3
Hi High (pH 8-9.5) -1.93 3.28 -54.82 2 6 -1 96 243.283 3
Hi High (pH 8-9.5) 1.39 7.1 -49.65 4 11 -1 163 435.505 12

Activity (Go SEA)

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