UCSF

ZINC36743259

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) 1.31 1.12 -43.52 2 5 -1 87 282.732 3
Lo Low (pH 4.5-6) 1.31 1.57 -45.65 3 5 0 88 283.74 3
Lo Low (pH 4.5-6) 1.31 1.04 -9.44 3 5 0 85 283.74 3

Activity (Go SEA)

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