UCSF

ZINC21876763

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 33 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) 0.89 6.51 -50.89 3 9 1 101 457.53 7
Hi High (pH 8-9.5) 0.89 3.99 -19.36 2 9 0 100 456.522 7

Activity (Go SEA)

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