UCSF

ZINC36981006

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 3.00 3.02 -40.63 4 5 1 83 282.36 7
Hi High (pH 8-9.5) 3.00 2.17 -6.62 3 5 0 79 281.352 7

Activity (Go SEA)

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