UCSF

ZINC32124097

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 23 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) 4.15 8.03 -51.32 2 4 1 44 314.405 6
Hi High (pH 8-9.5) 4.15 6.89 -7.04 1 4 0 40 313.397 6

Activity (Go SEA)

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