UCSF

ZINC21784716

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 31 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) 5.35 9.53 -42.65 1 6 -1 87 434.541 6
Mid Mid (pH 6-8) 4.89 10.64 -12.66 2 6 0 84 435.549 6

Activity (Go SEA)

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