UCSF

ZINC32006443

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 12 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) 1.11 2.75 -36.93 2 3 1 39 168.216 1
Hi High (pH 8-9.5) 1.11 1.42 -4.76 1 3 0 34 167.208 1

Activity (Go SEA)

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