UCSF

ZINC36747259

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 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) -1.21 -2.02 -44.09 5 6 1 98 232.304 9
Hi High (pH 8-9.5) -1.21 -3.18 -12.59 4 6 0 93 231.296 9

Activity (Go SEA)

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