UCSF

ZINC44832757

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 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) 1.10 2.77 -5.64 2 4 0 50 257.403 4
Mid Mid (pH 6-8) 1.10 4.98 -38.63 3 4 1 51 258.411 4

Activity (Go SEA)

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