UCSF

ZINC62973777

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 15 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) -0.59 -1.38 -43.46 3 4 1 43 214.333 4
Mid Mid (pH 6-8) -0.59 1.08 -107.42 4 4 2 45 215.341 4
Mid Mid (pH 6-8) -0.59 0.83 -87.28 4 4 2 45 215.341 4
Lo Low (pH 4.5-6) -0.59 3.29 -192.46 5 4 3 46 216.349 4

Activity (Go SEA)

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