UCSF

ZINC45694566

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 1.40 6.42 -36.61 2 5 1 54 296.435 7
Hi High (pH 8-9.5) 1.40 6.08 -42.81 2 5 1 57 296.435 7
Hi High (pH 8-9.5) 1.40 4.52 -7.2 1 5 0 53 295.427 7
Lo Low (pH 4.5-6) 1.40 7.8 -119.08 3 5 2 58 297.443 7

Activity (Go SEA)

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