UCSF

ZINC36614063

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 32 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) 3.41 12.44 -44.72 1 7 1 65 442.49 7
Mid Mid (pH 6-8) 3.41 10.23 -13.28 0 7 0 64 441.482 7
Mid Mid (pH 6-8) 3.41 10.97 -40.56 1 7 1 65 442.49 7

Activity (Go SEA)

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