UCSF

ZINC24353026

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2009 28 Yes

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) 4.04 12.85 -46.22 2 4 1 38 376.524 5
Hi High (pH 8-9.5) 4.10 8.05 -12.29 1 4 0 41 375.516 5
Lo Low (pH 4.5-6) 4.10 11.49 -92.77 3 4 2 44 377.532 5

Activity (Go SEA)

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