UCSF

ZINC33791028

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 8 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) -0.99 -3.45 -38.81 5 3 1 68 120.172 2
Hi High (pH 8-9.5) -0.99 -3.76 -2.62 4 3 0 66 119.164 2

Activity (Go SEA)

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