UCSF

ZINC68786364

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2011 28 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) 4.15 11.59 -38.82 2 4 1 43 375.492 9
Mid Mid (pH 6-8) 4.15 9.53 -10.19 1 4 0 42 374.484 9

Activity (Go SEA)

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