UCSF

ZINC31917706

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) -0.21 2.96 -57.14 4 6 1 86 306.386 4
Hi High (pH 8-9.5) -0.21 2.57 -15.19 3 6 0 85 305.378 4

Activity (Go SEA)

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