UCSF

ZINC34453745

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 16 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) 1.21 3.72 -35.81 2 3 1 26 219.308 2
Hi High (pH 8-9.5) 1.21 1.32 -3.9 1 3 0 24 218.3 2

Activity (Go SEA)

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