UCSF

ZINC06938675

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2006 25 Yes

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) 1.62 2.78 -36.21 2 7 -1 114 382.78 3
Mid Mid (pH 6-8) 2.49 2.67 -126.4 3 7 2 109 383.788 3
Mid Mid (pH 6-8) 1.62 2.35 -17.92 3 7 0 112 383.788 3

Activity (Go SEA)

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