UCSF

ZINC24378806

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2009 27 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) 2.93 8.13 -10.98 1 5 0 51 368.477 7
Lo Low (pH 4.5-6) 2.93 10.9 -45.07 2 5 1 52 369.485 7

Activity (Go SEA)

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