UCSF

ZINC37121392

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 3.21 2.11 -11.5 4 4 0 75 311.168 4
Hi High (pH 8-9.5) 3.21 2.87 -40.58 3 4 -1 78 310.16 4

Activity (Go SEA)

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