UCSF

ZINC38933226

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2010 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) 3.18 4.25 -17.32 1 6 0 71 344.321 4
Hi High (pH 8-9.5) 3.25 2.12 -55.08 0 6 -1 78 343.313 4

Activity (Go SEA)

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