UCSF

ZINC08238418

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2006 25 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) 2.59 6.95 -52.31 2 6 1 63 362.372 9
Hi High (pH 8-9.5) 2.59 4.74 -19.05 1 6 0 62 361.364 9
Hi High (pH 8-9.5) 2.40 3.79 -44.1 0 6 -1 68 360.356 9

Activity (Go SEA)

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