UCSF

ZINC11806471

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2008 25 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) 2.65 7.01 -27.12 2 6 0 84 372.475 6
Hi High (pH 8-9.5) 2.83 5.94 -50.26 1 6 -1 90 371.467 6

Activity (Go SEA)

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