UCSF

ZINC55060865

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 24 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) 2.11 9.68 -51 2 5 1 52 322.436 8
Hi High (pH 8-9.5) 2.11 8.31 -10.6 1 5 0 48 321.428 8

Activity (Go SEA)

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