UCSF

ZINC23549812

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2009 28 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) 4.45 3.49 -23.82 4 8 0 123 512.158 7
Hi High (pH 8-9.5) 4.45 4.91 -94.45 2 8 -2 129 510.142 7
Mid Mid (pH 6-8) 4.45 4.12 -47.35 3 8 -1 126 511.15 7
Mid Mid (pH 6-8) 4.45 4.27 -61.64 3 8 -1 126 511.15 7

Activity (Go SEA)

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