UCSF

ZINC11906440

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 29 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) 2.82 -6.1 -22.54 1 8 0 110 438.527 5
Hi High (pH 8-9.5) 2.82 -5.55 -60.74 0 8 -1 112 437.519 5

Activity (Go SEA)

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