UCSF

ZINC36828843

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 19 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) 2.72 4 -12.52 1 5 0 70 286.397 8
Hi High (pH 8-9.5) 3.18 2.1 -45.82 0 5 -1 73 285.389 8

Activity (Go SEA)

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