UCSF

ZINC36203961

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 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) 3.64 10.68 -51.7 2 4 1 50 358.462 3
Hi High (pH 8-9.5) 4.10 8.25 -44.66 1 4 0 53 357.454 3

Activity (Go SEA)

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