UCSF

ZINC28765267

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 24 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) 6.37 10.82 -136.41 4 2 2 33 408.2 7
Hi High (pH 8-9.5) 6.37 9.25 -3.58 2 2 0 24 406.184 7
Mid Mid (pH 6-8) 6.37 9.62 -48.22 3 2 1 29 407.192 7
Mid Mid (pH 6-8) 6.37 9.48 -48.36 3 2 1 29 407.192 7
Lo Low (pH 4.5-6) 6.37 11.38 -134.37 4 2 2 33 408.2 7

Activity (Go SEA)

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