UCSF

ZINC22916025

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 29 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) 0.28 4.26 -39.75 2 8 1 76 405.519 7
Hi High (pH 8-9.5) 0.28 2.04 -14.45 1 8 0 74 404.511 7
Lo Low (pH 4.5-6) 0.28 4.28 -42.17 2 8 1 76 405.519 7

Activity (Go SEA)

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