UCSF

ZINC07448574

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2006 31 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) 2.99 10 -62.49 4 7 1 94 418.521 6
Mid Mid (pH 6-8) 2.99 7.81 -22.39 3 7 0 93 417.513 6

Activity (Go SEA)

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