UCSF

ZINC20911140

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 26 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) 3.71 9.44 -53.4 2 5 1 55 377.578 9
Hi High (pH 8-9.5) 3.71 8.62 -11.86 1 5 0 50 376.57 9
Mid Mid (pH 6-8) 3.71 11.76 -131.42 3 5 2 56 378.586 9
Mid Mid (pH 6-8) 3.71 10.47 -44.44 2 5 1 51 377.578 9

Activity (Go SEA)

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