UCSF

ZINC22697394

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 26 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) 1.82 10.02 -57.11 1 5 1 45 376.546 3
Hi High (pH 8-9.5) 1.82 7.69 -16.11 0 5 0 44 375.538 3

Activity (Go SEA)

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