UCSF

ZINC59791148

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 24 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) 1.34 7.99 -54.68 2 6 1 87 334.44 6
Hi High (pH 8-9.5) 1.34 6.81 -15.89 1 6 0 82 333.432 6

Activity (Go SEA)

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