UCSF

ZINC21720704

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 20 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) 3.21 9.84 -39.25 1 3 1 30 291.802 3
Mid Mid (pH 6-8) 3.21 8.11 -7.86 0 3 0 29 290.794 3

Activity (Go SEA)

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