UCSF

ZINC34331281

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 20 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) 1.85 5.72 -54.24 1 7 1 88 322.794 6
Hi High (pH 8-9.5) 1.85 3.24 -10.12 0 7 0 86 321.786 6

Activity (Go SEA)

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