UCSF

ZINC37011409

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 No

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) 1.32 3.8 -50.51 2 7 1 84 296.347 7
Hi High (pH 8-9.5) 1.32 2.43 -8.19 1 7 0 80 295.339 7
Lo Low (pH 4.5-6) 1.32 4.68 -42.49 2 7 1 81 296.347 7

Activity (Go SEA)

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