UCSF

ZINC44316333

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 15 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) 0.88 3.36 -7.92 1 5 0 79 210.233 4
Hi High (pH 8-9.5) 0.73 1.5 -41.66 0 5 -1 86 209.225 4

Activity (Go SEA)

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