UCSF

ZINC36749094

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 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) 0.38 1.36 -7.65 3 5 0 65 210.281 3
Mid Mid (pH 6-8) 0.38 1.48 -25.55 4 5 1 66 211.289 3

Activity (Go SEA)

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