UCSF

ZINC01194304

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 16 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) 2.90 -0.29 -10.6 0 3 0 30 294.177 1
Mid Mid (pH 6-8) -0.84 -0.04 -29.78 1 3 1 32 295.185 1

Activity (Go SEA)

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