UCSF

ZINC35016872

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 1.33 7.95 -120.17 3 4 2 41 283.46 5
Hi High (pH 8-9.5) 1.33 5.7 -50.06 2 4 1 40 282.452 5
Mid Mid (pH 6-8) 1.33 6.75 -41.85 2 4 1 37 282.452 5

Activity (Go SEA)

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