UCSF

ZINC57393168

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 29 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) 2.88 7.13 -55.47 0 8 -1 98 394.407 6
Hi High (pH 8-9.5) 2.16 9.25 -118.76 0 8 -2 99 393.399 5
Mid Mid (pH 6-8) 2.87 9.12 -19.34 1 8 0 95 395.415 6

Activity (Go SEA)

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