UCSF

ZINC43427209

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 2.55 2.59 -39.59 1 5 1 63 225.316 4
Mid Mid (pH 6-8) 2.55 0.42 -3.18 0 5 0 62 224.308 4

Activity (Go SEA)

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