UCSF

ZINC12541660

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 25 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) 1.99 3.74 -50.18 1 8 -1 129 359.339 4
Hi High (pH 8-9.5) 1.99 3.82 -117.25 0 8 -2 131 358.331 4

Activity (Go SEA)

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