UCSF

ZINC03999095

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 24 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) 4.18 -1.15 -36.44 2 4 1 46 327.448 5
Lo Low (pH 4.5-6) 4.18 -1.06 -86.11 3 4 2 48 328.456 5

Activity (Go SEA)

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