UCSF

ZINC34475840

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) 1.72 4.19 -39.46 2 3 1 35 220.292 1
Hi High (pH 8-9.5) 1.72 2.94 -4.61 1 3 0 30 219.284 1

Activity (Go SEA)

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