UCSF

ZINC70516517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 2.19 3.78 -32.68 3 4 1 55 286.436 8
Hi High (pH 8-9.5) 2.19 3.47 -3.08 2 4 0 51 285.428 8

Activity (Go SEA)

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