UCSF

ZINC36987596

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) 2.25 5.1 -35.23 4 3 1 61 219.308 4
Hi High (pH 8-9.5) -1.04 5.43 -9.02 4 3 0 61 218.3 4

Activity (Go SEA)

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