UCSF

ZINC34529540

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 0.48 3.46 -46.62 5 6 1 99 290.343 7
Mid Mid (pH 6-8) 0.48 3.18 -8.34 4 6 0 97 289.335 7

Activity (Go SEA)

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