UCSF

ZINC26153957

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 25 No

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) 4.16 7.78 -14.43 5 7 0 119 374.495 4
Hi High (pH 8-9.5) 3.36 6.79 -62.97 4 7 -1 123 373.487 5
Mid Mid (pH 6-8) 4.22 6.58 -39.12 6 7 1 122 375.503 4

Activity (Go SEA)

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