UCSF

ZINC49659715

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 26 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) 2.47 3.01 -14.01 2 7 0 94 376.434 5
Mid Mid (pH 6-8) 2.47 3.16 -43.7 1 7 -1 96 375.426 5

Activity (Go SEA)

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