UCSF

ZINC34681886

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 36 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) 5.87 15.72 -52.49 2 5 1 50 497.585 8
Lo Low (pH 4.5-6) 5.87 16.14 -106.65 3 5 2 51 498.593 8

Activity (Go SEA)

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