UCSF

ZINC36853454

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -1.06 0.11 -40.72 3 5 1 63 200.262 5
Mid Mid (pH 6-8) -0.87 -1.19 -91.57 3 5 1 74 200.262 5
Mid Mid (pH 6-8) -0.87 -3.68 -44.87 2 5 0 72 199.254 5

Activity (Go SEA)

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