UCSF

ZINC32070387

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 32 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) 3.64 8.92 -16.76 1 7 0 84 439.5 2
Ref Reference (pH 7) 3.46 11.74 -13.76 1 7 0 80 439.5 2

Activity (Go SEA)

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