UCSF

ZINC31933801

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.98 8.79 -60.16 3 4 1 62 328.461 6
Hi High (pH 8-9.5) 4.44 7.72 -48.28 2 4 0 65 327.453 6

Activity (Go SEA)

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