UCSF

ZINC05141539

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 12 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) 0.06 0.96 -36.27 3 3 1 50 167.232 4
Lo Low (pH 4.5-6) 0.06 1.22 -100.71 4 3 2 51 168.24 4

Activity (Go SEA)

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