UCSF

ZINC35673772

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 20 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) 0.20 4.97 -42.26 4 6 0 109 279.34 7
Mid Mid (pH 6-8) 0.20 4.6 -59.25 3 6 -1 108 278.332 7

Activity (Go SEA)

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