UCSF

ZINC36639500

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 5.58 11.62 -17.83 1 4 0 51 407.322 6
Hi High (pH 8-9.5) 5.77 9.22 -46.58 0 4 -1 58 406.314 6

Activity (Go SEA)

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