UCSF

ZINC12004990

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 28 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) 2.06 -2.99 -41.74 3 8 1 90 394.492 10

Activity (Go SEA)

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