UCSF

ZINC32198605

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 1.05 4.65 -53.52 3 5 1 66 305.379 5
Mid Mid (pH 6-8) 1.05 4.27 -10.71 2 5 0 65 304.371 5

Activity (Go SEA)

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