UCSF

ZINC37875226

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 21 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) 1.87 1.43 -6.93 2 4 0 45 304.312 6
Mid Mid (pH 6-8) 1.87 3.7 -42.22 3 4 1 46 305.32 6

Activity (Go SEA)

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