UCSF

ZINC32210407

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) 2.07 3.4 -7.38 1 5 0 43 308.422 9
Mid Mid (pH 6-8) 2.07 4.9 -42.78 2 5 1 48 309.43 9
Lo Low (pH 4.5-6) 2.07 5.73 -39.95 2 5 1 44 309.43 9

Activity (Go SEA)

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