UCSF

ZINC40181321

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.74 10.89 -18.37 1 6 0 69 414.509 9
Mid Mid (pH 6-8) 3.74 11.18 -42.78 2 6 1 70 415.517 9

Activity (Go SEA)

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