UCSF

ZINC20094048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 3.56 9.99 -36.22 2 2 1 16 281.423 5
Hi High (pH 8-9.5) 3.56 7.62 -2.33 1 2 0 15 280.415 5
Mid Mid (pH 6-8) 3.56 8.78 -37.97 2 2 1 20 281.423 5
Lo Low (pH 4.5-6) 3.56 11.2 -124.48 3 2 2 21 282.431 5

Activity (Go SEA)

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