UCSF

ZINC45735030

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 0.73 3.7 -42.24 3 5 1 67 284.405 3
Mid Mid (pH 6-8) 0.92 2.23 -37.5 2 5 0 73 283.397 3

Activity (Go SEA)

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