UCSF

ZINC60205600

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2011 25 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) 0.44 3.59 -102.18 7 5 2 69 343.519 1
Hi High (pH 8-9.5) 0.44 0.89 -3.05 5 5 0 60 341.503 1
Hi High (pH 8-9.5) 0.44 2.22 -37.87 6 5 1 65 342.511 1
Hi High (pH 8-9.5) 0.44 0.07 -34.35 6 5 1 65 342.511 1
Mid Mid (pH 6-8) 0.44 3.31 -111.41 7 5 2 69 343.519 1
Lo Low (pH 4.5-6) 0.44 4.68 -219.96 8 5 3 74 344.527 1

Activity (Go SEA)

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