UCSF

ZINC38192137

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.31 13.62 -15.93 2 8 0 90 447.539 8
Mid Mid (pH 6-8) 4.49 14.16 -57.19 3 8 1 95 448.547 8

Activity (Go SEA)

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