UCSF

ZINC05634863

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 21 No

Other Names:

MFCD02955079

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) 6.02 8.19 -6.36 1 3 0 45 355.271 2
Ref Reference (pH 7) 6.02 8.58 -6.53 1 3 0 45 355.271 2
Hi High (pH 8-9.5) 6.48 6.16 -40.55 0 3 -1 48 354.263 2
Hi High (pH 8-9.5) 6.48 6.82 -39.64 0 3 -1 48 354.263 2

Activity (Go SEA)

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