UCSF

ZINC36679065

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 14 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) 2.23 4.13 -35.32 4 3 1 61 193.27 4
Hi High (pH 8-9.5) -1.06 4.28 -8.31 4 3 0 61 192.262 4

Activity (Go SEA)

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