UCSF

ZINC36159072

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 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) 3.29 8.59 -53.84 3 6 1 80 420.599 8
Hi High (pH 8-9.5) 3.75 6.06 -53.01 2 6 0 83 419.591 8
Hi High (pH 8-9.5) 3.29 6.57 -15.03 2 6 0 78 419.591 8

Activity (Go SEA)

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