UCSF

ZINC21796216

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 18 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) 4.11 5.48 -17.07 2 3 0 49 265.671 2
Mid Mid (pH 6-8) 4.11 6.51 -57.13 1 3 -1 52 264.663 2

Activity (Go SEA)

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