UCSF

ZINC00603143

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 3.81 -3.52 -15.94 1 5 0 76 372.899 7
Hi High (pH 8-9.5) 3.81 -2.99 -50.07 0 5 -1 78 371.891 7

Activity (Go SEA)

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