UCSF

ZINC22755871

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 35 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) 4.07 9.89 -18.33 3 7 0 86 496.677 11
Mid Mid (pH 6-8) 4.07 10.9 -53.03 4 7 1 88 497.685 11

Activity (Go SEA)

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