UCSF

ZINC04382528

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 25 Yes

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) 5.64 12.58 -8.43 1 3 0 29 368.267 4
Mid Mid (pH 6-8) 5.64 13.01 -30.35 2 3 1 31 369.275 4

Activity (Go SEA)

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