UCSF

ZINC23561259

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2009 32 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) 2.20 9.9 -58.29 0 8 -1 104 450.544 7
Mid Mid (pH 6-8) 1.74 11.68 -16.23 1 8 0 101 451.552 7

Activity (Go SEA)

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