UCSF

ZINC21812934

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 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) 3.90 7.89 -51.1 2 2 1 26 275.199 7
Hi High (pH 8-9.5) 3.90 6.63 -5.08 1 2 0 21 274.191 7

Activity (Go SEA)

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