UCSF

ZINC37827344

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.22 5.93 -107.89 4 4 2 52 283.46 4
Mid Mid (pH 6-8) 2.22 5.6 -41.13 3 4 1 51 282.452 4

Activity (Go SEA)

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