UCSF

ZINC37140582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 0.09 0.79 -36.86 4 5 1 76 283.421 5
Hi High (pH 8-9.5) 0.09 -0.36 -11.95 3 5 0 71 282.413 5
Lo Low (pH 4.5-6) 0.09 2.98 -99.53 5 5 2 77 284.429 5

Activity (Go SEA)

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