UCSF

ZINC43402179

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 Yes

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) 0.29 1.14 -87.1 4 6 2 74 267.377 4
Hi High (pH 8-9.5) 0.29 -1.26 -41.59 3 6 1 73 266.369 4
Hi High (pH 8-9.5) 0.29 -1.5 -6.64 2 6 0 71 265.361 4
Mid Mid (pH 6-8) 0.29 1 -102.35 4 6 2 74 267.377 4

Activity (Go SEA)

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