UCSF

ZINC22053747

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 29 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) 5.66 9.86 -13.99 1 5 0 65 388.419 4
Hi High (pH 8-9.5) 5.66 10.65 -49.11 0 5 -1 68 387.411 4

Activity (Go SEA)

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