UCSF

ZINC35480264

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 23 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) 1.41 5.55 -47.51 2 7 1 84 344.457 6
Mid Mid (pH 6-8) 1.41 3.3 -10.8 1 7 0 83 343.449 6

Activity (Go SEA)

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