UCSF

ZINC34684292

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 1.86 3.85 -10.23 0 8 0 65 413.522 6
Mid Mid (pH 6-8) 1.86 6.13 -53.58 1 8 1 66 414.53 6
Mid Mid (pH 6-8) 1.86 6.07 -42.28 1 8 1 66 414.53 6
Mid Mid (pH 6-8) 1.86 8.34 -103.85 2 8 2 68 415.538 6

Activity (Go SEA)

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