UCSF

ZINC31894830

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 15 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) 2.20 3.16 -50.14 3 3 1 50 223.321 4
Hi High (pH 8-9.5) 2.20 2.77 -7.01 2 3 0 48 222.313 4

Activity (Go SEA)

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