UCSF

ZINC32106111

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 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) 1.39 2.23 -49.38 3 5 1 65 252.29 6
Hi High (pH 8-9.5) 1.39 0.76 -8.51 2 5 0 60 251.282 6

Activity (Go SEA)

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