UCSF

ZINC41669820

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 4.55 8.36 -8.95 0 4 0 43 412.283 2
Mid Mid (pH 6-8) 4.55 11.33 -46.8 1 4 1 44 413.291 2

Activity (Go SEA)

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