UCSF

ZINC25805494

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 23 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) 2.12 5.93 -10.21 0 5 0 42 318.417 5
Mid Mid (pH 6-8) 2.12 8.12 -47.19 1 5 1 43 319.425 5

Activity (Go SEA)

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