UCSF

ZINC04171597

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 29 Yes

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) 4.08 -1.52 -10.23 1 6 0 69 392.455 4
Mid Mid (pH 6-8) 4.08 -1.27 -27.01 2 6 1 70 393.463 4

Activity (Go SEA)

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