UCSF

ZINC00217470

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 3.30 7.03 -13.22 1 4 0 55 305.381 3
Mid Mid (pH 6-8) 3.37 5.86 -38.45 2 4 1 60 306.389 3

Activity (Go SEA)

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