UCSF

ZINC44648295

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 1.05 2.79 -47.4 4 5 1 75 268.724 4
Hi High (pH 8-9.5) 1.05 1.43 -9.1 3 5 0 70 267.716 4

Activity (Go SEA)

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