UCSF

ZINC57393171

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 7.79 -52.19 0 8 -1 98 394.407 6
Hi High (pH 8-9.5) 2.16 9.26 -118.77 0 8 -2 99 393.399 5
Mid Mid (pH 6-8) 2.87 8.63 -18.24 1 8 0 95 395.415 6

Activity (Go SEA)

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