UCSF

ZINC44608747

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 21 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) 1.04 3.86 -53.34 3 4 1 53 304.439 5
Mid Mid (pH 6-8) 1.04 5.9 -129.04 4 4 2 54 305.447 5

Activity (Go SEA)

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