UCSF

ZINC22798705

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 15 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) -1.50 0.24 -107.63 6 4 2 69 210.325 8
Hi High (pH 8-9.5) -1.50 -1.16 -46.21 5 4 1 65 209.317 8

Activity (Go SEA)

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