UCSF

ZINC20128735

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 1.74 2.91 -38.09 4 4 1 57 265.377 6
Hi High (pH 8-9.5) 1.74 2.93 -74.26 3 4 0 63 264.369 6
Mid Mid (pH 6-8) 1.74 2.14 -49.86 4 4 1 60 265.377 6

Activity (Go SEA)

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