UCSF

ZINC41684222

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 2.98 9.26 -35.88 1 6 1 66 287.771 7
Hi High (pH 8-9.5) 2.98 6.81 -5.47 0 6 0 65 286.763 7

Activity (Go SEA)

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