UCSF

ZINC20365697

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 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) 1.35 6.86 -98 4 4 2 50 269.433 10
Hi High (pH 8-9.5) 1.35 5.72 -40.69 3 4 1 46 268.425 10

Activity (Go SEA)

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