UCSF

ZINC42467722

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.61 5.08 -120.99 4 3 2 41 246.42 5
Hi High (pH 8-9.5) 0.61 2.57 -3.51 2 3 0 38 244.404 5
Mid Mid (pH 6-8) 0.61 4.97 -30.88 3 3 1 40 245.412 5
Mid Mid (pH 6-8) 0.61 2.91 -41.4 3 3 1 40 245.412 5

Activity (Go SEA)

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