UCSF

ZINC36981975

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 1.72 5.36 -50.48 2 5 1 53 260.317 4
Hi High (pH 8-9.5) 1.72 4.23 -9.16 1 5 0 48 259.309 4

Activity (Go SEA)

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