UCSF

ZINC38419297

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 27 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) 2.40 7.73 -42.94 2 5 1 46 368.501 8
Hi High (pH 8-9.5) 2.40 5.49 -9.68 1 5 0 45 367.493 8
Lo Low (pH 4.5-6) 2.40 9.99 -91.76 3 5 2 47 369.509 8

Activity (Go SEA)

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