UCSF

ZINC20547640

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 16 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) 1.41 -1.51 -14.31 4 5 0 92 244.316 4
Hi High (pH 8-9.5) 1.41 -1.06 -45.11 3 5 -1 95 243.308 4

Activity (Go SEA)

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