UCSF

ZINC48890437

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 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) 2.50 3.5 -7.95 2 5 0 71 224.308 7
Mid Mid (pH 6-8) 2.50 3.52 -36.45 1 5 -1 69 223.3 7

Activity (Go SEA)

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