UCSF

ZINC37097348

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 1.76 4.97 -30.26 3 3 1 43 212.342 5
Hi High (pH 8-9.5) 1.76 2.93 -5.07 2 3 0 42 211.334 5

Activity (Go SEA)

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