UCSF

ZINC30863007

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 24 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) 3.40 5.5 -18.13 1 5 0 65 390.288 7
Hi High (pH 8-9.5) 3.40 5.1 -39.79 0 5 -1 67 389.28 7

Activity (Go SEA)

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