UCSF

ZINC04452889

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 31 No

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) 3.43 7.75 -10.25 2 6 0 110 409.493 3
Mid Mid (pH 6-8) 3.52 2.82 -96.39 3 6 2 110 411.509 3
Lo Low (pH 4.5-6) 3.43 7.94 -44.92 3 6 1 111 410.501 3

Activity (Go SEA)

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