UCSF

ZINC49917837

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 31 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) 8.32 15.09 -39.64 2 3 1 38 425.681 13
Mid Mid (pH 6-8) 8.32 15.52 -77.6 3 3 2 39 426.689 13

Activity (Go SEA)

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