UCSF

ZINC18268287

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 21 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) 0.51 3.22 -37.69 2 6 -1 110 291.327 3
Mid Mid (pH 6-8) -0.16 2.69 -18.14 3 6 0 106 292.335 2

Activity (Go SEA)

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