UCSF

ZINC57477148

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2011 31 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) 4.12 10.02 -9.61 1 7 0 71 420.513 5
Mid Mid (pH 6-8) 4.12 9.86 -45.35 2 7 1 72 421.521 5

Activity (Go SEA)

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