UCSF

ZINC41729002

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 0.01 7.1 -41.36 3 3 1 45 256.373 3
Hi High (pH 8-9.5) 0.01 6.77 -5.93 2 3 0 44 255.365 3
Lo Low (pH 4.5-6) 0.01 7.45 -82.18 4 3 2 47 257.381 3

Activity (Go SEA)

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