UCSF

ZINC36829085

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 21 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) 1.69 4.11 -13.09 1 5 0 70 304.371 3
Hi High (pH 8-9.5) 2.15 2.07 -48.56 0 5 -1 73 303.363 3

Activity (Go SEA)

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