UCSF

ZINC55343037

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 22 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) 1.35 5.43 -36.59 3 5 1 66 305.398 7
Hi High (pH 8-9.5) 1.35 4.19 -8.78 2 5 0 62 304.39 7

Activity (Go SEA)

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