UCSF

ZINC04343079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 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) 2.85 -1.1 -8.74 1 3 0 38 216.284 1
Mid Mid (pH 6-8) 2.85 -0.92 -27.79 2 3 1 39 217.292 1

Activity (Go SEA)

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