UCSF

ZINC53125692

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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 2.77 -35.34 4 4 1 66 257.398 7
Hi High (pH 8-9.5) 2.49 1.95 -8.25 3 4 0 61 256.39 7

Activity (Go SEA)

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