UCSF

ZINC37280240

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 3.39 6.9 -34.4 3 3 1 46 309.48 7
Mid Mid (pH 6-8) 3.39 5.83 -10.23 2 3 0 41 308.472 7

Activity (Go SEA)

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