UCSF

ZINC27764199

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 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) -0.60 5.41 -137.83 0 6 -2 101 241.243 4
Lo Low (pH 4.5-6) -0.60 4.27 -65.44 1 6 -1 98 242.251 4

Activity (Go SEA)

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