UCSF

ZINC41210053

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 0.91 5.64 -79.03 2 3 2 12 201.358 5
Hi High (pH 8-9.5) 0.91 3.35 -33.97 1 3 1 11 200.35 5
Mid Mid (pH 6-8) 0.91 5.64 -96.32 2 3 2 12 201.358 5
Mid Mid (pH 6-8) 0.91 3.17 -32.98 1 3 1 11 200.35 5

Activity (Go SEA)

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