UCSF

ZINC21816596

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 2.44 3.63 -12.27 2 5 0 78 252.277 2
Lo Low (pH 4.5-6) 2.44 4.17 -32.68 3 5 1 79 253.285 2

Activity (Go SEA)

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