UCSF

ZINC49719069

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.61 9.09 -14.12 0 5 0 42 382.504 8
Mid Mid (pH 6-8) 3.61 11.29 -55.01 1 5 1 43 383.512 8

Activity (Go SEA)

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