UCSF

ZINC14084557

Substance Information

In ZINC since Heavy atoms Benign functionality
July 2nd, 2008 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) 3.76 9.12 -22.31 3 8 0 110 493.614 8
Mid Mid (pH 6-8) 3.76 9.55 -49.98 4 8 1 112 494.622 8

Activity (Go SEA)

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