UCSF

ZINC32008701

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) 2.12 4.22 -35.61 3 2 1 37 194.298 5
Hi High (pH 8-9.5) 2.12 2.96 -4.31 2 2 0 32 193.29 5

Activity (Go SEA)

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