UCSF

ZINC43410024

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 4.11 5.99 -44.75 3 3 1 50 334.237 3
Mid Mid (pH 6-8) 4.11 5.52 -6.71 2 3 0 48 333.229 3

Activity (Go SEA)

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