UCSF

ZINC33881049

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 27 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) 3.46 12.43 -35.81 1 5 1 51 367.517 5
Mid Mid (pH 6-8) 3.46 12.04 -10.04 0 5 0 49 366.509 5

Activity (Go SEA)

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