UCSF

ZINC37153342

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 4.09 10.42 -127.83 3 2 2 21 300.849 5
Mid Mid (pH 6-8) 4.09 8.57 -41.12 2 2 1 20 299.841 5
Mid Mid (pH 6-8) 4.09 9.46 -37.33 2 2 1 16 299.841 5

Activity (Go SEA)

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