UCSF

ZINC39870138

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 33 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) 6.53 12.59 -53.84 0 6 -1 80 457.531 8
Mid Mid (pH 6-8) 6.53 13.22 -15.12 1 6 0 78 458.539 8

Activity (Go SEA)

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