UCSF

ZINC10011127

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 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) 1.73 2.08 -9.61 3 4 0 68 235.312 3
Lo Low (pH 4.5-6) 1.73 2.52 -39.29 4 4 1 69 236.32 3

Activity (Go SEA)

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