UCSF

ZINC12843868

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 26 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) 3.49 10.56 -8.48 1 5 0 57 366.49 5
Ref Reference (pH 7) 3.49 10.59 -8.64 1 5 0 57 366.49 5
Hi High (pH 8-9.5) 4.03 9.52 -46.55 0 5 -1 59 365.482 6
Lo Low (pH 4.5-6) 4.03 10.74 -33.11 2 5 1 59 367.498 6

Activity (Go SEA)

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