UCSF

ZINC21885685

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 34 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) 3.61 10.18 -51.79 2 8 1 80 462.622 7
Hi High (pH 8-9.5) 3.61 7.91 -16.86 1 8 0 79 461.614 7

Activity (Go SEA)

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