UCSF

ZINC45655211

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 2.52 5.47 -30.34 2 3 1 20 268.469 4
Hi High (pH 8-9.5) 2.52 5.23 -29.78 2 3 1 20 268.469 4
Mid Mid (pH 6-8) 2.52 7.61 -75.35 3 3 2 21 269.477 4

Activity (Go SEA)

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