UCSF

ZINC32015846

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) 1.79 3.2 -38.69 3 3 1 46 230.715 6
Hi High (pH 8-9.5) 1.79 1.79 -4.98 2 3 0 41 229.707 6

Activity (Go SEA)

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