UCSF

ZINC37839156

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 No

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) 1.84 9.84 -17.15 0 3 0 37 245.322 3
Hi High (pH 8-9.5) 2.59 8.7 -56.42 0 3 -1 43 244.314 2

Activity (Go SEA)

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