UCSF

ZINC29927722

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 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) 3.02 6.4 -21.34 1 5 0 53 365.905 6
Mid Mid (pH 6-8) 3.02 8.73 -67.14 2 5 1 54 366.913 6

Activity (Go SEA)

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