UCSF

ZINC22698900

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 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) 1.85 3.99 -11.37 1 6 0 64 333.413 4
Lo Low (pH 4.5-6) 1.85 6.72 -51.97 2 6 1 65 334.421 4

Activity (Go SEA)

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