UCSF

ZINC32012593

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) 1.91 4.25 -39.43 3 2 1 37 212.7 4
Hi High (pH 8-9.5) 1.91 2.9 -5.29 2 2 0 32 211.692 4

Activity (Go SEA)

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