UCSF

ZINC35598349

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 30 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) 3.33 10.53 -41.62 1 5 1 29 404.582 7
Hi High (pH 8-9.5) 3.33 8.08 -9.19 0 5 0 28 403.574 7
Mid Mid (pH 6-8) 3.33 12.77 -100.55 2 5 2 30 405.59 7

Activity (Go SEA)

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