UCSF

ZINC37144291

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 17 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) 1.18 3.06 -49.25 4 4 1 60 255.363 6
Hi High (pH 8-9.5) 1.18 0.53 -14.35 3 4 0 59 254.355 6

Activity (Go SEA)

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