UCSF

ZINC28020215

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 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) -5.13 0.7 -175.38 14 15 2 269 529.643 16
Hi High (pH 8-9.5) -5.13 -0.41 -132.4 13 15 1 267 528.635 16
Mid Mid (pH 6-8) -5.09 0.31 -126.07 13 15 1 265 528.635 17

Activity (Go SEA)

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