UCSF

ZINC01536566

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 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) 4.73 0.03 -29.85 4 5 1 71 367.86 7
Lo Low (pH 4.5-6) 4.73 -0.15 -100.1 5 5 2 73 368.868 7

Activity (Go SEA)

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