UCSF

ZINC36893489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 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) 2.27 10.13 -74.85 1 5 0 62 287.363 4
Hi High (pH 8-9.5) 2.27 8.09 -58.92 0 5 -1 61 286.355 4
Lo Low (pH 4.5-6) 2.27 10.57 -101.98 2 5 1 64 288.371 4

Activity (Go SEA)

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