UCSF

ZINC32106425

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 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) 0.75 1.75 -10.17 4 6 0 96 246.27 5
Mid Mid (pH 6-8) 0.75 2.2 -36.76 5 6 1 98 247.278 5
Lo Low (pH 4.5-6) 0.75 2.67 -76.06 6 6 2 99 248.286 5

Activity (Go SEA)

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