UCSF

ZINC36456656

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 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) 0.04 0.58 -51.05 4 4 1 66 221.28 2
Hi High (pH 8-9.5) 0.04 -0.75 -11.08 3 4 0 61 220.272 2

Activity (Go SEA)

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