UCSF

ZINC35017199

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 26 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) 2.43 5.54 -35.02 1 7 -1 100 438.334 6
Mid Mid (pH 6-8) 3.18 6.63 -17.72 2 7 0 94 439.342 7

Activity (Go SEA)

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