UCSF

ZINC40181355

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 33 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) 4.64 12.1 -18.08 1 6 0 69 462.981 10
Mid Mid (pH 6-8) 4.64 12.39 -41.88 2 6 1 70 463.989 10

Activity (Go SEA)

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