UCSF

ZINC37806730

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) 0.41 2.28 -36.12 3 4 1 57 227.328 4
Hi High (pH 8-9.5) 0.41 0.99 -7.76 2 4 0 53 226.32 4

Activity (Go SEA)

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