UCSF

ZINC32878903

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 29 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) 2.59 11.5 -49.57 2 7 1 77 435.574 7
Mid Mid (pH 6-8) 2.59 9 -17.78 1 7 0 76 434.566 7

Activity (Go SEA)

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