UCSF

ZINC30783549

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 28 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) 2.60 4.75 -51.87 0 8 -1 98 380.38 3
Lo Low (pH 4.5-6) 2.14 6.53 -13.35 1 8 0 95 381.388 3

Activity (Go SEA)

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