UCSF

ZINC32811007

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 30 No

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) 1.50 9.02 -13.75 0 8 0 68 424.53 6
Mid Mid (pH 6-8) 1.50 11.32 -49.78 1 8 1 70 425.538 6

Activity (Go SEA)

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