UCSF

ZINC42408345

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 21 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) 0.74 4.79 -43.64 4 6 1 80 293.391 7
Hi High (pH 8-9.5) 0.74 2.82 -15.88 3 6 0 79 292.383 7

Activity (Go SEA)

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