UCSF

ZINC36680359

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.65 4.78 -17.26 1 8 0 96 397.431 9
Hi High (pH 8-9.5) 3.72 2.66 -52.71 0 8 -1 102 396.423 9

Activity (Go SEA)

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