UCSF

ZINC62954889

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 3.14 10.12 -48.72 1 3 1 45 271.384 4
Mid Mid (pH 6-8) 3.14 7.94 -8.87 0 3 0 44 270.376 4

Activity (Go SEA)

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