UCSF

ZINC21814406

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 No

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) 2.17 3.29 -66.12 2 4 1 60 306.354 5
Hi High (pH 8-9.5) 2.17 2.14 -14.98 1 4 0 55 305.346 5

Activity (Go SEA)

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