UCSF

ZINC32065839

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.67 6.83 -50.65 3 6 1 66 381.5 7
Mid Mid (pH 6-8) 1.67 6.85 -54.26 3 6 1 66 381.5 7
Mid Mid (pH 6-8) 1.67 4.57 -17.53 2 6 0 65 380.492 7

Activity (Go SEA)

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