UCSF

ZINC31682882

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 18 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) 3.70 5.64 -12.37 1 3 0 41 267.756 2
Hi High (pH 8-9.5) 3.70 6.47 -49.95 0 3 -1 43 266.748 2

Activity (Go SEA)

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