UCSF

ZINC37873558

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 1.93 2.34 -12.3 2 5 0 68 308.161 8
Mid Mid (pH 6-8) 1.93 3.78 -54.39 3 5 1 72 309.169 8

Activity (Go SEA)

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