UCSF

ZINC42463038

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.02 2.83 -45.64 3 4 1 51 256.414 4
Mid Mid (pH 6-8) 2.02 4.48 -92.28 4 4 2 52 257.422 4

Activity (Go SEA)

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