UCSF

ZINC37050045

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) -0.96 2.43 -84.71 4 5 2 56 244.383 6
Mid Mid (pH 6-8) -0.96 2.34 -91.21 4 5 2 56 244.383 6
Mid Mid (pH 6-8) -0.96 0.14 -46.21 3 5 1 54 243.375 6

Activity (Go SEA)

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