UCSF

ZINC59773118

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 36 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) 2.00 4.58 -74.25 5 9 0 125 502.632 9
Hi High (pH 8-9.5) 2.00 2.87 -14.2 4 9 0 123 501.624 9

Activity (Go SEA)

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