UCSF

ZINC52861010

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 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) -0.14 2.08 -115.16 5 5 2 73 223.324 2
Hi High (pH 8-9.5) -0.14 0.41 -7.56 3 5 0 67 221.308 2
Mid Mid (pH 6-8) -0.14 1.69 -42.5 4 5 1 72 222.316 2

Activity (Go SEA)

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