UCSF

ZINC48355630

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 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) 1.65 4.8 -46.64 2 5 1 64 267.378 4
Hi High (pH 8-9.5) 1.65 3.6 -13.49 1 5 0 59 266.37 4

Activity (Go SEA)

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