UCSF

ZINC36079484

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 18 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) 3.06 7.81 -38.72 2 3 1 34 269.434 7
Mid Mid (pH 6-8) 3.06 5.36 -7.43 1 3 0 32 268.426 7

Activity (Go SEA)

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