UCSF

ZINC45704450

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 2.70 4.85 -39.62 3 3 1 40 285.839 8
Mid Mid (pH 6-8) 2.70 5.62 -35.99 3 3 1 37 285.839 8
Lo Low (pH 4.5-6) 2.70 6.95 -119.2 4 3 2 41 286.847 8

Activity (Go SEA)

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