UCSF

ZINC31853022

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.13 10.74 -13.85 0 5 0 59 400.573 7
Lo Low (pH 4.5-6) 3.13 11.2 -42.58 1 5 1 60 401.581 7

Activity (Go SEA)

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