UCSF

ZINC36933173

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 3.05 5.35 -2.8 1 3 0 24 327.266 5
Mid Mid (pH 6-8) 3.05 6.25 -39.25 2 3 1 29 328.274 5
Lo Low (pH 4.5-6) 3.05 6.99 -40.33 2 3 1 26 328.274 5

Activity (Go SEA)

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