UCSF

ZINC21923968

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 34 No

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) 4.20 10.84 -63.88 3 8 1 105 485.63 10
Hi High (pH 8-9.5) 4.20 8.59 -23.1 2 8 0 104 484.622 10

Activity (Go SEA)

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