UCSF

ZINC37859211

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 21 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) 2.42 4.6 -11.72 1 5 0 70 326.443 6
Mid Mid (pH 6-8) 2.87 2.37 -43.89 0 5 -1 73 325.435 6

Activity (Go SEA)

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