UCSF

ZINC34885443

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 27 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) 5.59 11.22 -6.7 1 3 0 41 392.446 5
Mid Mid (pH 6-8) 5.59 10.96 -37.17 0 3 -1 44 391.438 6

Activity (Go SEA)

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