UCSF

ZINC54558111

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2010 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) 2.62 3.59 -41.58 4 3 1 61 221.324 2
Hi High (pH 8-9.5) 2.62 3.18 -10.11 3 3 0 59 220.316 2

Activity (Go SEA)

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