UCSF

ZINC02493382

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 18 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) 2.90 2.77 -10.31 0 4 0 62 264.35 6
Lo Low (pH 4.5-6) 2.90 2.88 -42.55 1 4 1 64 265.358 6

Activity (Go SEA)

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