UCSF

ZINC04756364

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 24 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) 3.05 5.93 -15.43 2 8 0 120 389.165 3
Mid Mid (pH 6-8) 3.51 3.89 -43.28 1 8 -1 123 388.157 3
Mid Mid (pH 6-8) 3.51 4.19 -38.34 1 8 -1 123 388.157 3

Activity (Go SEA)

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