UCSF

ZINC34680979

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.82 8.6 -19.9 1 8 0 84 412.49 7
Mid Mid (pH 6-8) 1.82 8.97 -51.03 2 8 1 85 413.498 7

Activity (Go SEA)

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