UCSF

ZINC39760811

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 29 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) 4.40 8.13 -23.05 2 7 0 93 410.499 6
Hi High (pH 8-9.5) 4.47 6.47 -57.52 1 7 -1 100 409.491 6

Activity (Go SEA)

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