UCSF

ZINC37040674

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -0.48 2.18 -50.79 5 4 1 77 257.313 4
Mid Mid (pH 6-8) -0.48 1.85 -10.1 4 4 0 75 256.305 4

Activity (Go SEA)

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