UCSF

ZINC31963708

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 3.71 7.7 -59.52 4 4 1 70 332.493 6
Hi High (pH 8-9.5) 3.89 6.64 -58.6 3 4 0 76 331.485 6

Activity (Go SEA)

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