UCSF

ZINC36378552

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 22 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) 4.26 11.78 -39.88 1 2 1 9 293.434 1
Hi High (pH 8-9.5) 4.26 9.89 -6.21 0 2 0 8 292.426 1

Activity (Go SEA)

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