UCSF

ZINC21968046

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 19 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) 1.93 3.23 -60.46 4 4 1 74 277.369 5
Hi High (pH 8-9.5) 1.93 3.3 -66.76 3 4 0 76 276.361 5

Activity (Go SEA)

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