UCSF

ZINC34874575

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 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) 3.00 7.67 -54.61 5 5 1 80 394.47 8
Mid Mid (pH 6-8) 3.00 5.76 -12.71 4 5 0 79 393.462 8

Activity (Go SEA)

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