UCSF

ZINC40189380

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 27 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) 4.97 12.1 -8.11 1 4 0 47 363.505 8
Mid Mid (pH 6-8) 4.97 12.68 -31.4 2 4 1 48 364.513 8

Activity (Go SEA)

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