UCSF

ZINC05121402

Substance Information

In ZINC since Heavy atoms Benign functionality
January 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) 4.17 -3.9 -7.57 1 4 0 55 376.659 4
Hi High (pH 8-9.5) 4.17 -3.32 -36.9 0 4 -1 57 375.651 4

Activity (Go SEA)

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