UCSF

ZINC19209027

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 26 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) 2.76 9.36 -69.88 1 5 0 65 370.474 6
Hi High (pH 8-9.5) 2.76 6.81 -59.74 0 5 -1 64 369.466 6
Lo Low (pH 4.5-6) 2.76 8.54 -47.17 2 5 1 62 371.482 6

Activity (Go SEA)

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