UCSF

ZINC34678034

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 30 Yes

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) 3.02 6.34 -50.17 2 6 1 63 413.448 6
Mid Mid (pH 6-8) 3.02 6.36 -49.92 2 6 1 63 413.448 6
Mid Mid (pH 6-8) 3.02 4.09 -9.05 1 6 0 62 412.44 6

Activity (Go SEA)

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