UCSF

ZINC53155651

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 3.72 8.11 -54.88 2 2 1 26 280.75 5
Mid Mid (pH 6-8) 3.72 6.75 -6.62 1 2 0 21 279.742 5

Activity (Go SEA)

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