UCSF

ZINC39849459

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 34 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) 1.88 7.53 -62.35 0 9 -1 112 465.482 9
Mid Mid (pH 6-8) 1.88 9.79 -72.69 1 9 0 114 466.49 9
Lo Low (pH 4.5-6) 1.88 8.9 -53.49 2 9 1 111 467.498 9

Activity (Go SEA)

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