UCSF

ZINC44197841

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) -1.82 3.13 -32.93 3 6 0 107 234.211 3
Hi High (pH 8-9.5) -1.82 2.82 -52.09 2 6 -1 105 233.203 3

Activity (Go SEA)

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