UCSF

ZINC37462882

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 18 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) -4.43 -6.2 -58.78 4 10 -1 172 278.222 5
Hi High (pH 8-9.5) -4.08 -8.86 -105.58 3 10 -2 175 277.214 5
Mid Mid (pH 6-8) -4.08 -7.92 -95.58 3 10 -2 175 277.214 5

Activity (Go SEA)

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