UCSF

ZINC44133021

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 19 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) 2.77 4.6 -30.87 2 3 1 28 269.453 4
Lo Low (pH 4.5-6) 2.77 7.04 -95.74 3 3 2 29 270.461 4

Activity (Go SEA)

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