UCSF

ZINC42556023

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 0.97 4.12 -96.9 4 3 2 41 202.342 7
Hi High (pH 8-9.5) 0.97 2.68 -31.15 3 3 1 37 201.334 7
Hi High (pH 8-9.5) 0.97 4.55 -36.49 3 3 1 44 201.334 7

Activity (Go SEA)

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