UCSF

ZINC37840086

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) 0.60 2.33 -12.91 1 7 0 97 300.336 4
Hi High (pH 8-9.5) 1.06 0.53 -53.09 0 7 -1 100 299.328 4

Activity (Go SEA)

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