UCSF

ZINC36625147

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 21 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) 3.47 7.01 -11.11 2 3 0 49 319.813 2
Hi High (pH 8-9.5) 3.47 8.01 -57.26 1 3 -1 52 318.805 2

Activity (Go SEA)

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