UCSF

ZINC40477005

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 19 No

Other Names:

MFCD18170364

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) 5.58 7.85 -5.08 1 2 0 33 273.763 3
Hi High (pH 8-9.5) 5.58 8.62 -43.25 0 2 -1 35 272.755 3
Lo Low (pH 4.5-6) 5.58 8.34 -31.31 2 2 1 34 274.771 3

Activity (Go SEA)

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