UCSF

ZINC05159950

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 17 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) 2.33 3.43 -5.11 2 3 0 44 237.343 5
Lo Low (pH 4.5-6) 2.33 3.6 -17.53 3 3 0 45 238.351 5

Activity (Go SEA)

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