UCSF

ZINC31466596

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 23 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) 2.56 6.05 -35.64 3 5 1 63 318.441 6
Hi High (pH 8-9.5) 2.56 4.69 -11.2 2 5 0 61 317.433 6

Activity (Go SEA)

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