UCSF

ZINC34476709

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 24 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) 1.45 6.76 -50.99 2 8 -1 124 325.304 4
Mid Mid (pH 6-8) 1.90 5.48 -90.5 1 8 -2 127 324.296 4

Activity (Go SEA)

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