UCSF

ZINC37865170

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 15 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) 1.92 3.99 -95.93 4 3 2 41 218.385 8
Mid Mid (pH 6-8) 1.92 4.56 -36.79 3 3 1 44 217.377 8

Activity (Go SEA)

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