UCSF

ZINC36717070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 31 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) 5.43 16.71 -61.64 1 4 1 38 456.701 11
Hi High (pH 8-9.5) 5.43 14.57 -17.75 0 4 0 36 455.693 11

Activity (Go SEA)

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