UCSF

ZINC36378233

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 31 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) 4.31 8.89 -48.07 2 6 1 61 431.438 5
Mid Mid (pH 6-8) 4.31 6.83 -29.28 2 6 1 61 431.438 5
Mid Mid (pH 6-8) 4.31 6.39 -16.87 1 6 0 59 430.43 5

Activity (Go SEA)

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