UCSF

ZINC36353691

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 29 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) 2.49 6.41 -13.1 1 7 0 78 397.406 5
Ref Reference (pH 7) 2.30 9.06 -13.42 1 7 0 75 397.406 5
Lo Low (pH 4.5-6) 2.30 9.52 -45.67 2 7 1 76 398.414 5

Activity (Go SEA)

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