UCSF

ZINC45694436

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) -0.03 3.74 -10.88 1 6 0 76 256.302 8
Mid Mid (pH 6-8) -0.03 5.03 -58.79 2 6 1 80 257.31 8

Activity (Go SEA)

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