UCSF

ZINC44260001

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) -0.03 0.22 -52.01 3 5 1 78 262.33 5
Hi High (pH 8-9.5) -0.03 -0.17 -8.2 2 5 0 76 261.322 5

Activity (Go SEA)

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