UCSF

ZINC35517797

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.52 5.97 -14.43 2 7 0 116 315.31 3
Mid Mid (pH 6-8) 1.98 3.99 -47.56 1 7 -1 119 314.302 3

Activity (Go SEA)

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