UCSF

ZINC36594955

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2009 30 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) 3.03 6.91 -31.79 1 7 0 95 464.952 6
Hi High (pH 8-9.5) 3.21 5.52 -58.77 0 7 -1 101 463.944 6

Activity (Go SEA)

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