UCSF

ZINC22455783

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 22 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) 2.73 10.5 -87.39 2 3 2 12 303.494 4
Hi High (pH 8-9.5) 2.73 8.26 -39.74 1 3 1 11 302.486 4

Activity (Go SEA)

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