UCSF

ZINC36996586

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 3.33 8.65 -29.66 2 2 1 16 281.37 3
Mid Mid (pH 6-8) 3.33 7.31 -27.7 2 2 1 20 281.37 3
Lo Low (pH 4.5-6) 3.33 9.58 -97.12 3 2 2 21 282.378 3

Activity (Go SEA)

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