UCSF

ZINC39870093

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 37 No

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) 7.40 14.67 -46.12 0 6 -1 71 507.639 9
Mid Mid (pH 6-8) 7.40 15.14 -17.91 1 6 0 69 508.647 9

Activity (Go SEA)

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