UCSF

ZINC32008390

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) 2.28 5.14 -42.63 2 2 1 26 192.282 1
Hi High (pH 8-9.5) 2.28 3.79 -3.45 1 2 0 21 191.274 1

Activity (Go SEA)

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