UCSF

ZINC38610579

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 32 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) 3.68 5.07 -15.66 3 8 0 108 502.365 8
Mid Mid (pH 6-8) 3.68 5.83 -53.3 2 8 -1 111 501.357 8

Activity (Go SEA)

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