UCSF

ZINC31894684

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 12 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) 1.40 2.14 -50.34 3 2 1 41 183.231 1
Hi High (pH 8-9.5) 1.40 1.75 -9.04 2 2 0 39 182.223 1

Activity (Go SEA)

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