UCSF

ZINC61294781

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 19 Yes

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) 0.50 5.29 -47.27 3 5 1 66 268.381 5
Hi High (pH 8-9.5) 0.50 4.81 -14.34 2 5 0 61 267.373 5

Activity (Go SEA)

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