UCSF

ZINC37996110

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) -1.57 -1.91 -13.38 2 8 0 98 301.372 4
Mid Mid (pH 6-8) -1.57 -0.45 -57.09 3 8 1 103 302.38 4

Activity (Go SEA)

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