UCSF

ZINC37851702

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) 0.13 2.83 -102.23 4 4 2 51 220.357 9
Mid Mid (pH 6-8) 0.13 0.36 -41.33 3 4 1 49 219.349 9

Activity (Go SEA)

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