UCSF

ZINC45694164

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) 1.06 4.29 -39.38 4 5 1 66 297.398 8
Mid Mid (pH 6-8) 1.06 4.63 -39.29 4 5 1 66 297.398 8
Lo Low (pH 4.5-6) 1.06 6.76 -113.97 5 5 2 67 298.406 8

Activity (Go SEA)

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