UCSF

ZINC39914197

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 35 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) 4.32 8.19 -14.23 2 8 0 97 497.979 10
Mid Mid (pH 6-8) 4.32 8.94 -51.1 1 8 -1 100 496.971 10

Activity (Go SEA)

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