UCSF

ZINC26573153

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 25 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) 1.05 10.14 -67.29 0 5 -1 75 337.33 3
Mid Mid (pH 6-8) 1.05 9.24 -29.99 1 5 0 78 338.338 3
Lo Low (pH 4.5-6) 1.05 9.7 -77.85 2 5 1 79 339.346 3

Activity (Go SEA)

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