UCSF

ZINC36762821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 13 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) 1.84 1.26 -40.52 3 4 1 67 184.263 4
Hi High (pH 8-9.5) 1.84 0.98 -6.54 2 4 0 65 183.255 4

Activity (Go SEA)

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