UCSF

ZINC32180314

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 1.88 4.92 -56.65 3 5 1 66 299.35 4
Mid Mid (pH 6-8) 1.88 4.53 -13.34 2 5 0 65 298.342 4

Activity (Go SEA)

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