UCSF

ZINC34964781

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 3.44 12.21 -41.67 1 6 1 54 420.549 9
Mid Mid (pH 6-8) 3.44 10 -11.55 0 6 0 53 419.541 9

Activity (Go SEA)

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