UCSF

ZINC08710338

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 23 No

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) 3.14 -1.18 -12.29 1 7 0 101 340.332 6
Hi High (pH 8-9.5) 3.14 -0.68 -46 0 7 -1 103 339.324 6

Activity (Go SEA)

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