UCSF

ZINC42748448

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 1.76 5.75 -106.16 4 3 2 35 243.439 6
Hi High (pH 8-9.5) 1.76 3.28 -38.12 3 3 1 34 242.431 6

Activity (Go SEA)

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