UCSF

ZINC43190888

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 24 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) 3.48 7.41 -13.19 3 6 0 98 348.472 8
Mid Mid (pH 6-8) 3.48 7.13 -56.99 2 6 -1 100 347.464 8

Activity (Go SEA)

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