UCSF

ZINC34670525

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 30 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) 2.35 7.06 -11.91 0 6 0 51 416.493 9
Lo Low (pH 4.5-6) 2.35 9.33 -57.68 1 6 1 52 417.501 9

Activity (Go SEA)

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