UCSF

ZINC40181414

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 29 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) 3.59 10.51 -13.58 1 5 0 60 384.483 7
Mid Mid (pH 6-8) 3.59 11.12 -35.55 2 5 1 61 385.491 7

Activity (Go SEA)

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