UCSF

ZINC19796423

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 3.61 8.16 -13.84 1 6 0 72 444.31 3
Hi High (pH 8-9.5) 3.68 7.25 -42.93 0 6 -1 78 443.302 3

Activity (Go SEA)

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