UCSF

ZINC37000593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.73 2.53 -48.78 4 7 1 112 266.277 3
Hi High (pH 8-9.5) 0.73 3.3 -73.11 3 7 0 115 265.269 3

Activity (Go SEA)

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