UCSF

ZINC37839468

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -0.69 2.11 -21.34 3 6 0 93 241.291 4
Hi High (pH 8-9.5) 0.06 0.96 -53.55 3 6 -1 98 240.283 3

Activity (Go SEA)

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