UCSF

ZINC37049310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.12 4.54 -150.61 5 4 3 40 245.435 8
Hi High (pH 8-9.5) 0.12 -0.22 -41.74 3 4 1 37 243.419 8
Mid Mid (pH 6-8) 0.12 2.27 -81.78 4 4 2 39 244.427 8

Activity (Go SEA)

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