UCSF

ZINC12471132

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 26 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) 2.97 10.29 -94.72 4 6 2 86 366.502 12
Hi High (pH 8-9.5) 2.97 7.9 -9.61 2 6 0 77 364.486 12
Mid Mid (pH 6-8) 2.97 9.03 -43.04 3 6 1 81 365.494 12

Activity (Go SEA)

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