UCSF

ZINC41681602

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.59 5.91 -36.71 2 4 1 29 278.42 7
Hi High (pH 8-9.5) 2.59 5.59 -36.55 2 4 1 29 278.42 7
Hi High (pH 8-9.5) 2.59 3.43 -5.32 1 4 0 28 277.412 7
Lo Low (pH 4.5-6) 2.59 8.05 -109.92 3 4 2 30 279.428 7

Activity (Go SEA)

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