UCSF

ZINC35298164

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 37 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) 3.10 8.59 -63.53 0 9 -1 108 507.563 11
Mid Mid (pH 6-8) 3.10 10.85 -84.86 1 9 0 110 508.571 11
Lo Low (pH 4.5-6) 3.10 10.1 -64.08 2 9 1 107 509.579 11

Activity (Go SEA)

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