UCSF

ZINC37859648

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 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) 0.46 0.14 -14.69 2 6 0 92 299.377 5
Mid Mid (pH 6-8) 0.92 -2.16 -43.84 1 6 -1 95 298.369 5

Activity (Go SEA)

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