UCSF

ZINC40175210

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 19 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) 3.16 8.36 -92.42 3 3 2 34 257.381 1
Hi High (pH 8-9.5) 3.16 7.07 -22.12 2 3 1 29 256.373 1
Mid Mid (pH 6-8) 3.16 8.13 -45.32 2 3 1 33 256.373 1

Activity (Go SEA)

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