UCSF

ZINC32100452

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 27 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) 3.08 5.54 -12.79 2 6 0 80 358.401 1
Ref Reference (pH 7) 2.90 8.01 -10.29 2 6 0 76 358.401 1

Activity (Go SEA)

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