UCSF

ZINC31992832

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) -1.72 1.6 -34.59 3 5 1 68 200.262 3
Hi High (pH 8-9.5) -1.72 -0.94 -7.79 2 5 0 67 199.254 3
Mid Mid (pH 6-8) -1.72 1.91 -99.9 4 5 2 69 201.27 3

Activity (Go SEA)

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