UCSF

ZINC43394701

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.61 3.75 -37.23 4 4 1 69 263.361 5
Mid Mid (pH 6-8) 1.61 2.6 -11.06 3 4 0 64 262.353 5

Activity (Go SEA)

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