UCSF

ZINC41476228

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 1.20 8.48 -11.23 0 6 0 60 282.351 5
Mid Mid (pH 6-8) 1.20 8.93 -41.55 1 6 1 61 283.359 5

Activity (Go SEA)

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