UCSF

ZINC69237295

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 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) 2.18 9.38 -48.89 0 4 -1 60 266.361 7
Lo Low (pH 4.5-6) 2.18 7.39 -5.78 1 4 0 58 267.369 7

Activity (Go SEA)

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