UCSF

ZINC49738519

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 27 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) 3.45 11.22 -42.76 2 4 1 37 366.529 8
Mid Mid (pH 6-8) 3.45 8.79 -7.14 1 4 0 36 365.521 8
Mid Mid (pH 6-8) 3.45 10.61 -40.77 2 4 1 37 366.529 8

Activity (Go SEA)

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