UCSF

ZINC03830750

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.51 10.37 -64.32 2 7 0 103 376.453 10
Mid Mid (pH 6-8) 0.51 9.5 -66.18 1 7 -1 99 375.445 10

Activity (Go SEA)

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