UCSF

ZINC70514381

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 2.58 3.02 -34.73 3 4 1 49 299.479 9
Hi High (pH 8-9.5) 2.58 1.79 -4.54 2 4 0 45 298.471 9
Mid Mid (pH 6-8) 2.58 5.25 -85.79 4 4 2 51 300.487 9

Activity (Go SEA)

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