UCSF

ZINC37837222

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.93 5.55 -85.28 1 6 0 82 316.404 3
Mid Mid (pH 6-8) 0.93 3.39 -59 0 6 -1 81 315.396 3

Activity (Go SEA)

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