UCSF

ZINC20473207

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 20 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) 4.11 5.77 -15.99 2 4 0 59 271.316 4
Hi High (pH 8-9.5) 4.11 6.79 -58.18 1 4 -1 61 270.308 4

Activity (Go SEA)

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