UCSF

ZINC54930862

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 14 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) 2.98 4.21 -7.38 1 3 0 46 192.262 1
Hi High (pH 8-9.5) 3.43 2.34 -48.7 0 3 -1 49 191.254 1

Activity (Go SEA)

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