UCSF

ZINC50518804

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2010 21 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) 4.45 8.45 -12.94 1 3 0 42 356.145 3
Mid Mid (pH 6-8) 4.45 8.01 -33.95 0 3 -1 40 355.137 3

Activity (Go SEA)

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