UCSF

ZINC40130626

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 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) 2.60 8.54 -12.63 0 7 0 58 424.545 7
Mid Mid (pH 6-8) 2.60 10.8 -51.54 1 7 1 59 425.553 7
Lo Low (pH 4.5-6) 2.60 11.27 -99.22 2 7 2 61 426.561 7

Activity (Go SEA)

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