UCSF

ZINC55036355

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 29 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) 4.26 12.42 -39.35 1 3 1 21 386.563 4
Hi High (pH 8-9.5) 4.26 10.53 -5.58 0 3 0 19 385.555 4
Lo Low (pH 4.5-6) 4.26 12.89 -85.85 2 3 2 22 387.571 4
Lo Low (pH 4.5-6) 4.26 15.44 -190.68 3 3 3 23 388.579 4

Activity (Go SEA)

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