UCSF

ZINC53789831

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2010 16 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) 3.87 8.97 -42.44 2 1 1 17 224.343 7
Hi High (pH 8-9.5) 3.87 7.83 -2.78 1 1 0 12 223.335 7

Activity (Go SEA)

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