UCSF

ZINC20009131

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 4.31 10.47 -34.65 2 2 1 16 283.439 7
Mid Mid (pH 6-8) 4.31 9.09 -2.19 1 2 0 15 282.431 7
Mid Mid (pH 6-8) 4.31 9.67 -36.58 2 2 1 20 283.439 7

Activity (Go SEA)

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