UCSF

ZINC44624122

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 3.73 7.75 -39.21 2 3 1 34 266.796 5
Hi High (pH 8-9.5) 3.73 6.63 -7.33 1 3 0 30 265.788 5
Lo Low (pH 4.5-6) 3.73 8.34 -103.23 3 3 2 36 267.804 5

Activity (Go SEA)

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