UCSF

ZINC41055460

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 14 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) -1.43 -2.79 -47.85 4 5 1 69 204.294 7
Lo Low (pH 4.5-6) -1.43 -0.48 -107.4 5 5 2 70 205.302 7

Activity (Go SEA)

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