UCSF

ZINC32101007

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 25 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) 2.03 4.87 -12.95 2 6 0 80 335.363 3
Ref Reference (pH 7) 1.85 7.54 -12.67 2 6 0 76 335.363 3

Activity (Go SEA)

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