UCSF

ZINC37336412

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.34 9.98 -32.41 1 3 1 26 251.394 6
Hi High (pH 8-9.5) 2.34 8.24 -7.25 0 3 0 25 250.386 6

Activity (Go SEA)

Rings

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