UCSF

ZINC37824759

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.14 3.26 -44.14 3 5 1 70 266.365 7
Hi High (pH 8-9.5) -0.14 2.95 -10.71 2 5 0 68 265.357 7
Lo Low (pH 4.5-6) -0.14 3.64 -87.69 4 5 2 71 267.373 7

Activity (Go SEA)

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