UCSF

ZINC38530345

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 21 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) 1.18 8.6 -13.08 0 6 0 53 289.383 3
Lo Low (pH 4.5-6) 1.18 8.97 -36.76 1 6 1 54 290.391 3
Lo Low (pH 4.5-6) 1.18 9.08 -36.3 1 6 1 54 290.391 3

Activity (Go SEA)

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