UCSF

ZINC32870785

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 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) 2.08 6.49 -17.2 1 5 0 53 343.471 5
Mid Mid (pH 6-8) 2.08 8.75 -56.82 2 5 1 54 344.479 5

Activity (Go SEA)

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