UCSF

ZINC34683494

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 29 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) 4.83 11.74 -36.65 2 4 1 45 387.503 5
Hi High (pH 8-9.5) 4.83 12.49 -29.49 1 4 0 48 386.495 5

Activity (Go SEA)

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