UCSF

ZINC21788980

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 31 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) 4.15 12.44 -43.17 1 7 1 70 437.442 10
Hi High (pH 8-9.5) 4.15 10.2 -14.55 0 7 0 69 436.434 10

Activity (Go SEA)

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