UCSF

ZINC41195542

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 21 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) 3.07 6.84 -33.7 2 3 1 33 306.499 4
Hi High (pH 8-9.5) 3.07 8.08 -32.94 2 3 1 29 306.499 4
Mid Mid (pH 6-8) 3.07 9.21 -101.27 3 3 2 34 307.507 4
Lo Low (pH 4.5-6) 3.07 7.26 -82.81 3 3 2 31 307.507 4

Activity (Go SEA)

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