UCSF

ZINC36868712

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 0.20 2.45 -47.98 4 5 1 78 239.343 7
Hi High (pH 8-9.5) 0.20 1.09 -9.07 3 5 0 73 238.335 7

Activity (Go SEA)

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