UCSF

ZINC01661337

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 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) 0.70 5.92 -135.32 0 4 -2 80 170.164 2
Mid Mid (pH 6-8) 0.70 3.85 -51.16 1 4 -1 77 171.172 2
Mid Mid (pH 6-8) 0.70 4.03 -49.71 1 4 -1 77 171.172 2

Activity (Go SEA)

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