UCSF

ZINC07846474

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2006 20 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) 3.04 7.93 -41.96 2 3 1 34 297.35 5
Hi High (pH 8-9.5) 3.04 5.69 -12.22 1 3 0 32 296.342 5

Activity (Go SEA)

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