UCSF

ZINC13118219

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 19 No

Other Names:

MFCD05664532

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) 5.21 4.96 -6.18 1 3 0 45 254.333 2
Ref Reference (pH 7) 5.21 6.97 -6.49 1 3 0 45 254.333 2
Hi High (pH 8-9.5) 5.21 7.75 -45.12 0 3 -1 48 253.325 2
Hi High (pH 8-9.5) 5.21 5.73 -43.12 0 3 -1 48 253.325 2

Activity (Go SEA)

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