UCSF

ZINC33754770

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 22 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) 4.03 9.83 -38.81 2 3 1 34 344.306 5
Hi High (pH 8-9.5) 4.03 7.79 -7.83 1 3 0 32 343.298 5

Activity (Go SEA)

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