UCSF

ZINC06781498

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 23 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) 2.26 6.83 -10.91 2 4 0 58 309.344 4
Lo Low (pH 4.5-6) 2.26 7.1 -39.76 3 4 1 59 310.352 4

Activity (Go SEA)

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