UCSF

ZINC44270230

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) 1.96 4.42 -95.66 0 5 -2 88 309.265 6
Lo Low (pH 4.5-6) 1.96 4.38 -46.01 1 5 -1 86 310.273 6

Activity (Go SEA)

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