UCSF

ZINC36874054

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 No

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) 1.81 6.57 -45.85 3 6 1 91 259.289 3
Hi High (pH 8-9.5) 1.81 4.94 -10.08 2 6 0 87 258.281 3

Activity (Go SEA)

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