UCSF

ZINC06195083

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 33 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) 3.96 11.62 -56.03 0 7 -1 100 465.482 7
Mid Mid (pH 6-8) 3.38 1.13 -14.02 0 7 0 93 466.49 7
Lo Low (pH 4.5-6) 3.96 10.79 -17.49 1 7 0 97 466.49 7

Activity (Go SEA)

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