UCSF

ZINC51396845

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 15 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) 0.57 1.78 -44.95 3 4 1 53 208.285 2
Hi High (pH 8-9.5) 0.57 1.38 -4.78 2 4 0 51 207.277 2
Mid Mid (pH 6-8) 0.57 1.79 -26.48 3 4 1 53 208.285 2
Lo Low (pH 4.5-6) 0.57 2.18 -111.07 4 4 2 54 209.293 2

Activity (Go SEA)

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