UCSF

ZINC35433775

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 20 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) 3.98 8.09 -32.23 2 4 1 42 276.404 8
Mid Mid (pH 6-8) 3.98 9.24 -24.42 2 4 1 42 276.404 8
Mid Mid (pH 6-8) 3.98 8.54 -11.54 1 4 0 41 275.396 8

Activity (Go SEA)

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