UCSF

ZINC34527159

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 25 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) 3.32 11.96 -42.76 2 7 1 71 336.423 3
Mid Mid (pH 6-8) 3.32 9.6 -7.16 1 7 0 70 335.415 3

Activity (Go SEA)

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