UCSF

ZINC36614177

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 34 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) 3.81 8.11 -12.95 0 7 0 72 476.964 5
Mid Mid (pH 6-8) 3.81 10.33 -60.18 1 7 1 73 477.972 5

Activity (Go SEA)

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