UCSF

ZINC41683302

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 1.31 7.06 -59.51 1 7 -1 99 299.347 8
Lo Low (pH 4.5-6) 1.31 5.09 -16.78 2 7 0 96 300.355 8

Activity (Go SEA)

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