UCSF

ZINC24634987

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2009 30 No

Download: MOL2 SDF SMILES Flexibase

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) 3.64 11.98 -16.16 1 6 0 63 432.496 8
Mid Mid (pH 6-8) 4.37 11.82 -51.17 0 6 -1 60 431.488 8

Activity (Go SEA)

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