UCSF

ZINC55264458

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 1.87 6.4 -53.43 3 2 1 37 252.353 3
Hi High (pH 8-9.5) 1.87 6.12 -5.06 2 2 0 35 251.345 3

Activity (Go SEA)

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