UCSF

ZINC37804658

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 3.12 7.59 -39.52 2 3 1 37 273.466 7
Mid Mid (pH 6-8) 3.12 6.51 -8.45 1 3 0 32 272.458 7

Activity (Go SEA)

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