UCSF

ZINC38804743

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 14 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) 1.56 6.37 -14.11 1 3 0 58 195.262 4
Mid Mid (pH 6-8) 1.56 5.17 -12.66 1 3 0 58 195.262 4

Activity (Go SEA)

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