UCSF

ZINC19260551

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 14 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) 0.52 3.36 -89.95 4 3 2 35 201.358 4
Hi High (pH 8-9.5) 0.52 0.98 -41.53 3 3 1 34 200.35 4
Mid Mid (pH 6-8) 0.52 2.87 -108.42 4 3 2 35 201.358 4

Activity (Go SEA)

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