UCSF

ZINC32769942

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 15 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) 1.97 8.24 -27.46 1 3 1 30 206.313 3
Mid Mid (pH 6-8) 1.97 7.87 -6.54 0 3 0 29 205.305 3

Activity (Go SEA)

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