UCSF

ZINC22918621

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 3.60 9.62 -49.34 1 6 1 56 407.49 4
Hi High (pH 8-9.5) 3.60 6.72 -13.7 0 6 0 55 406.482 4
Lo Low (pH 4.5-6) 3.60 9.05 -49.65 1 6 1 56 407.49 4

Activity (Go SEA)

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