UCSF

ZINC21011462

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 18 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) 4.39 8.59 -120.2 4 2 2 32 256.478 3
Hi High (pH 8-9.5) 4.39 6.34 -43.99 3 2 1 31 255.47 3

Activity (Go SEA)

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