UCSF

ZINC33689237

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 22 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) 3.19 5.66 -21.69 1 5 0 68 316.382 4
Hi High (pH 8-9.5) 3.19 5.25 -39.93 0 5 -1 70 315.374 4

Activity (Go SEA)

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