UCSF

ZINC30827780

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 27 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) 6.86 12.9 -17.7 1 4 0 51 423.365 7
Hi High (pH 8-9.5) 7.04 11.84 -45.42 0 4 -1 58 422.357 7

Activity (Go SEA)

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