UCSF

ZINC21769732

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 28 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) 3.59 7.25 -21.74 1 7 0 89 417.512 6
Hi High (pH 8-9.5) 3.11 6.35 -56.58 0 7 -1 95 416.504 6

Activity (Go SEA)

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