UCSF

ZINC37985808

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 0.17 1.96 -49.69 3 8 1 106 305.38 8
Mid Mid (pH 6-8) 0.17 1.46 -32.4 2 8 0 108 304.372 8

Activity (Go SEA)

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