UCSF

ZINC36933077

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) 2.66 5.26 -2.9 1 3 0 24 262.397 5
Mid Mid (pH 6-8) 2.66 6.08 -36.14 2 3 1 29 263.405 5
Lo Low (pH 4.5-6) 2.66 6.98 -38.33 2 3 1 26 263.405 5

Activity (Go SEA)

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