UCSF

ZINC38030988

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2009 20 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) 0.45 4.31 -44.87 2 5 1 46 278.376 5
Mid Mid (pH 6-8) 0.45 5.61 -107.88 3 5 2 51 279.384 5

Activity (Go SEA)

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