UCSF

ZINC28343276

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 39 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) 4.30 6.73 -17.86 3 9 0 101 532.641 12
Mid Mid (pH 6-8) 4.30 9.05 -58.27 4 9 1 102 533.649 12

Activity (Go SEA)

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