UCSF

ZINC13008000

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 25 No

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) 1.56 2.98 -14.72 1 7 0 87 369.487 4
Lo Low (pH 4.5-6) 1.56 4.99 -48.11 2 7 1 88 370.495 4

Activity (Go SEA)

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