UCSF

ZINC20075368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 0.51 5.88 -34.06 3 4 1 48 245.35 5
Hi High (pH 8-9.5) 0.50 3.53 -6.93 2 4 0 47 244.342 5
Mid Mid (pH 6-8) 0.51 3.66 -55.55 3 4 1 49 245.35 5

Activity (Go SEA)

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