UCSF

ZINC44264652

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 16 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) 3.68 7.92 -13.38 1 3 0 42 321.121 1
Hi High (pH 8-9.5) 3.68 7.5 -42.6 0 3 -1 40 320.113 1
Lo Low (pH 4.5-6) 3.68 7.82 -27.7 2 3 1 43 322.129 1

Activity (Go SEA)

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