UCSF

ZINC32250681

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 18 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) 1.64 1.62 -7.88 2 4 0 48 246.31 3
Mid Mid (pH 6-8) 1.64 3.88 -41.33 3 4 1 50 247.318 3

Activity (Go SEA)

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