UCSF

ZINC35609122

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 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) 0.25 0.11 -17.36 3 6 0 95 267.31 3
Hi High (pH 8-9.5) 0.71 -1.83 -44.45 2 6 -1 98 266.302 3

Activity (Go SEA)

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