UCSF

ZINC15301861

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 22 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) 3.83 9.78 -38.28 2 3 1 34 317.84 6
Mid Mid (pH 6-8) 3.83 7.51 -8.73 1 3 0 32 316.832 6

Activity (Go SEA)

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