UCSF

ZINC32120703

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 0.06 1.3 -45.93 3 6 1 70 274.385 7
Mid Mid (pH 6-8) 0.06 3.66 -107.19 4 6 2 71 275.393 7

Activity (Go SEA)

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