UCSF

ZINC34989389

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 3.18 9.99 -52.56 1 5 1 67 265.333 8
Mid Mid (pH 6-8) 3.18 7.97 -13.8 0 5 0 66 264.325 8

Activity (Go SEA)

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