UCSF

ZINC37818473

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 0.52 3.37 -47.85 3 5 1 64 291.419 6
Hi High (pH 8-9.5) 0.52 3.03 -9.99 2 5 0 62 290.411 6
Mid Mid (pH 6-8) 0.52 5.59 -111.57 4 5 2 65 292.427 6

Activity (Go SEA)

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