UCSF

ZINC31898617

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 3.96 10.01 -44.41 3 2 1 37 312.477 6
Hi High (pH 8-9.5) 3.96 9.62 -4.35 2 2 0 35 311.469 6

Activity (Go SEA)

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