UCSF

ZINC20573490

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 28 No

Download: MOL2 SDF SMILES Flexibase

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) 3.16 4.9 -12.55 1 6 0 72 381.428 4
Mid Mid (pH 6-8) 3.16 5.53 -43.81 0 6 -1 75 380.42 4

Activity (Go SEA)

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