UCSF

ZINC37823749

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.12 4.78 -9.17 3 4 0 67 270.332 4
Hi High (pH 8-9.5) 0.12 5.8 -55.81 2 4 -1 69 269.324 4
Mid Mid (pH 6-8) 0.12 5.12 -43.15 4 4 1 68 271.34 4

Activity (Go SEA)

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