UCSF

ZINC37838032

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -1.96 2.91 -76.87 1 8 0 102 307.372 5
Hi High (pH 8-9.5) -1.96 1.03 -56.12 0 8 -1 101 306.364 5

Activity (Go SEA)

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