UCSF

ZINC20043237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 17 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) 0.81 4.01 -101.4 3 4 2 34 245.411 7
Hi High (pH 8-9.5) 0.81 2.82 -34.08 2 4 1 29 244.403 7
Lo Low (pH 4.5-6) 0.81 6.41 -192.67 4 4 3 35 246.419 7

Activity (Go SEA)

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