UCSF

ZINC36876478

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 2.38 7.22 -47.14 3 3 1 45 296.316 3
Lo Low (pH 4.5-6) 2.38 7.66 -107.38 4 3 2 47 297.324 3

Activity (Go SEA)

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