UCSF

ZINC35148513

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 15 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 5.18 -39.95 1 5 1 51 217.289 6
Hi High (pH 8-9.5) -0.14 3.5 -12.58 0 5 0 50 216.281 6

Activity (Go SEA)

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