UCSF

ZINC60206179

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2011 19 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) 0.81 0.07 -12.76 3 7 0 91 268.317 1
Hi High (pH 8-9.5) 0.99 -2.56 -45.13 2 7 -1 97 267.309 1

Activity (Go SEA)

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