UCSF

ZINC21510230

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.44 6.22 -30.39 1 2 -1 35 303.115 3
Mid Mid (pH 6-8) 4.44 5.56 -4.78 2 2 0 32 304.123 3

Activity (Go SEA)

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