UCSF

ZINC21738272

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 32 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) 2.28 7.25 -27.75 1 11 0 142 492.564 10
Hi High (pH 8-9.5) 2.74 7.15 -43.47 0 11 -1 145 491.556 10

Activity (Go SEA)

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