UCSF

ZINC22042992

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.52 2.53 -114.29 5 3 2 53 202.342 7
Mid Mid (pH 6-8) 1.52 1.36 -39.18 4 3 1 49 201.334 7

Activity (Go SEA)

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