UCSF

ZINC34675631

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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 13.52 -16.03 0 6 0 69 433.483 6
Mid Mid (pH 6-8) 4.97 15.12 -46.68 1 6 1 71 434.491 6

Activity (Go SEA)

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