UCSF

ZINC32185541

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) 3.98 7.94 -3.77 1 2 0 15 300.421 8
Mid Mid (pH 6-8) 3.98 9.34 -32.57 2 2 1 16 301.429 8
Lo Low (pH 4.5-6) 3.98 9.3 -37.15 2 2 1 20 301.429 8

Activity (Go SEA)

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