UCSF

ZINC56214036

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2010 19 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) 1.56 3.16 -15.28 1 5 0 65 267.373 5
Mid Mid (pH 6-8) 1.56 5.09 -54.87 2 5 1 67 268.381 5

Activity (Go SEA)

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