UCSF

ZINC37843359

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 No

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) 1.27 3.31 -42.86 0 6 -1 79 301.779 5
Mid Mid (pH 6-8) 1.27 3.16 -15.22 1 6 0 77 302.787 5

Activity (Go SEA)

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