UCSF

ZINC08845403

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 34 Yes

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) 3.77 8.33 -14.53 2 8 0 97 465.55 11
Mid Mid (pH 6-8) 3.77 9.1 -54.48 1 8 -1 100 464.542 11

Activity (Go SEA)

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