UCSF

ZINC36787089

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 14 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) 2.25 5.37 -26.13 3 3 1 43 194.302 3
Hi High (pH 8-9.5) 2.25 4.9 -4.36 2 3 0 42 193.294 3

Activity (Go SEA)

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