UCSF

ZINC34855170

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 30 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) 1.76 10.04 -39.72 1 7 1 63 404.494 3
Mid Mid (pH 6-8) 1.76 9.72 -11.74 0 7 0 62 403.486 3
Lo Low (pH 4.5-6) 1.76 10.52 -90.13 2 7 2 64 405.502 3

Activity (Go SEA)

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