UCSF

ZINC45167824

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 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) 4.26 9.72 -44.04 3 3 1 40 321.444 4
Hi High (pH 8-9.5) 4.26 7.5 -7.63 2 3 0 39 320.436 4

Activity (Go SEA)

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