UCSF

ZINC34448852

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 10 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) 0.27 -0.55 -36.8 4 3 1 60 141.194 1
Hi High (pH 8-9.5) 0.27 -1.64 -9.32 3 3 0 55 140.186 1

Activity (Go SEA)

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