UCSF

ZINC38978415

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2010 18 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) 3.13 8.97 -42.86 1 3 1 21 260.386 3
Mid Mid (pH 6-8) 3.13 6.74 -6.91 0 3 0 19 259.378 3

Activity (Go SEA)

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