UCSF

ZINC40797629

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 27 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) 3.29 8.53 -10.9 2 6 0 91 381.457 2
Hi High (pH 8-9.5) 3.48 5.72 -49.08 1 6 -1 98 380.449 2

Activity (Go SEA)

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