UCSF

ZINC36879176

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) -0.33 3.06 -43.83 3 3 1 40 221.324 3
Hi High (pH 8-9.5) -0.33 2.64 -3.16 2 3 0 38 220.316 3
Lo Low (pH 4.5-6) -0.33 5.01 -131.58 4 3 2 41 222.332 3

Activity (Go SEA)

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