UCSF

ZINC21737284

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 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) 3.84 9.22 -11.61 1 9 0 116 448.574 7
Hi High (pH 8-9.5) 4.29 8.41 -35.33 0 9 -1 119 447.566 7

Activity (Go SEA)

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