UCSF

ZINC32145014

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 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) 2.30 4.13 -13.3 2 5 0 75 241.25 3
Hi High (pH 8-9.5) 2.30 4.98 -61.71 1 5 -1 77 240.242 3

Activity (Go SEA)

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