UCSF

ZINC31995121

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 1.94 7.46 -108.74 3 4 2 40 290.407 2
Hi High (pH 8-9.5) 1.94 6.26 -42.64 2 4 1 35 289.399 2

Activity (Go SEA)

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