UCSF

ZINC21040072

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 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) 1.07 -1.35 -14.67 4 5 0 92 242.3 4
Hi High (pH 8-9.5) 1.07 -0.9 -44.72 3 5 -1 95 241.292 4

Activity (Go SEA)

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