UCSF

ZINC35558786

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 28 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) 3.69 9.16 -11.08 1 6 0 69 375.428 7
Mid Mid (pH 6-8) 3.69 9.68 -32.82 2 6 1 71 376.436 7

Activity (Go SEA)

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