UCSF

ZINC22697498

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 25 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) 2.47 9.79 -45.56 1 5 1 45 429.766 3
Hi High (pH 8-9.5) 2.47 7.58 -11.07 0 5 0 44 428.758 3

Activity (Go SEA)

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