UCSF

ZINC23175203

Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2008 35 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) 2.67 7.05 -14.8 2 9 0 119 474.517 6
Hi High (pH 8-9.5) 2.74 6.21 -48.8 1 9 -1 126 473.509 6

Activity (Go SEA)

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