UCSF

ZINC60261860

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 30 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) 1.90 3.82 -8.32 2 7 0 82 414.502 4
Mid Mid (pH 6-8) 1.90 4.53 -46.46 3 7 1 84 415.51 4

Activity (Go SEA)

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