UCSF

ZINC37609017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 20 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) 1.96 7.6 -48.75 3 6 1 91 273.316 5
Hi High (pH 8-9.5) 1.96 6.3 -12.03 2 6 0 87 272.308 5

Activity (Go SEA)

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