UCSF

ZINC35386972

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 13 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) -0.91 1.37 -53.88 2 6 0 96 185.183 5
Hi High (pH 8-9.5) -0.91 0.01 -44.28 1 6 -1 91 184.175 5

Activity (Go SEA)

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