UCSF

ZINC34556996

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 34 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) 4.96 17.76 -152.7 0 6 -2 114 476.912 11
Mid Mid (pH 6-8) 4.96 15.71 -77.71 1 6 -1 112 477.92 11

Activity (Go SEA)

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