UCSF

ZINC37014588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 2.28 5.07 -42.65 3 3 1 46 316.244 3
Mid Mid (pH 6-8) 2.28 3.7 -8.19 2 3 0 41 315.236 3

Activity (Go SEA)

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