UCSF

ZINC36267542

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 11 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) 0.58 1.19 -48.77 4 3 1 53 170.261 2
Hi High (pH 8-9.5) 0.58 0.87 -4.95 3 3 0 51 169.253 2
Lo Low (pH 4.5-6) 0.58 1.64 -91.52 5 3 2 54 171.269 2

Activity (Go SEA)

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