UCSF

ZINC39978037

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 21 No

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) 3.81 3.47 -113.89 3 5 2 78 411.053 2
Mid Mid (pH 6-8) 3.81 4.26 -90.04 2 5 1 81 410.045 2

Activity (Go SEA)

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