UCSF

ZINC22504292

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 27 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) 2.57 6.43 -10.48 1 6 0 69 362.433 3
Hi High (pH 8-9.5) 3.03 5.62 -44.5 0 6 -1 72 361.425 3

Activity (Go SEA)

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