UCSF

ZINC13435052

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 28 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) -4.50 -3.11 -385.54 3 16 -4 262 463.125 8
Mid Mid (pH 6-8) -4.50 -4.27 -246.77 4 16 -3 259 464.133 8

Activity (Go SEA)

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