UCSF

ZINC31905353

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) -0.13 2.15 -60.42 3 6 1 80 332.376 1
Hi High (pH 8-9.5) -0.13 -0.1 -16.04 2 6 0 79 331.368 1

Activity (Go SEA)

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