UCSF

ZINC11822021

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 26 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) 1.17 -0.78 -18.65 0 5 0 54 369.49 4
Lo Low (pH 4.5-6) 1.17 -0.67 -45.26 1 5 1 55 370.498 4

Activity (Go SEA)

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