UCSF

ZINC37240632

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 4.23 9.26 -30.02 2 2 1 16 346.358 6
Mid Mid (pH 6-8) 4.23 10.02 -105.38 3 2 2 21 347.366 6
Mid Mid (pH 6-8) 4.23 8.06 -33.17 2 2 1 20 346.358 6

Activity (Go SEA)

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