UCSF

ZINC03651000

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 11 No

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) -1.13 4.81 -29 3 3 0 68 195.309 6
Hi High (pH 8-9.5) -1.13 4.75 -39.4 2 3 -1 66 194.301 6

Activity (Go SEA)

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