UCSF

ZINC37859383

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) 0.78 1.66 -13.44 1 7 0 86 346.459 3
Mid Mid (pH 6-8) 1.24 -0.53 -42.9 0 7 -1 89 345.451 3

Activity (Go SEA)

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