UCSF

ZINC13470561

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 21 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) 3.74 8.77 -19.27 1 4 0 50 299.761 1
Hi High (pH 8-9.5) 4.20 7.43 -48.39 0 4 -1 53 298.753 1
Lo Low (pH 4.5-6) 3.74 8.94 -38.1 2 4 1 51 300.769 1

Activity (Go SEA)

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