UCSF

ZINC43441880

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 2.71 7.11 -32.97 2 5 1 61 359.24 6
Mid Mid (pH 6-8) 2.71 5.93 -9.08 1 5 0 57 358.232 6

Activity (Go SEA)

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