UCSF

ZINC37271693

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 14 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) -1.61 4.68 -22.66 0 5 0 58 200.238 4
Hi High (pH 8-9.5) -0.87 3.53 -60.21 0 5 -1 64 199.23 3

Activity (Go SEA)

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