UCSF

ZINC41800751

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 16 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) -1.01 3.96 -35.6 3 4 0 77 223.272 5
Hi High (pH 8-9.5) -1.01 2.69 -46.95 2 4 -1 72 222.264 5

Activity (Go SEA)

Rings

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