UCSF

ZINC38098248

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2009 16 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) 0.36 3.93 -89.02 4 4 2 50 245.392 3
Mid Mid (pH 6-8) 0.36 2.71 -42.1 3 4 1 46 244.384 3

Activity (Go SEA)

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