UCSF

ZINC43401263

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) -0.15 3.2 -33.76 4 5 1 77 237.327 5
Mid Mid (pH 6-8) -0.15 4.55 -7.06 3 5 0 75 236.319 5
Lo Low (pH 4.5-6) -0.15 3.74 -87.78 5 5 2 78 238.335 5

Activity (Go SEA)

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