UCSF

ZINC34677640

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 30 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) 2.06 5.83 -47.45 2 8 1 83 425.594 13
Mid Mid (pH 6-8) 2.06 3.57 -10.07 1 8 0 82 424.586 13

Activity (Go SEA)

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