UCSF

ZINC35991525

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 29 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 9.24 -40.2 2 7 1 66 421.949 7
Mid Mid (pH 6-8) 3.77 6.94 -6.87 1 7 0 65 420.941 7
Mid Mid (pH 6-8) 3.77 8.95 -38.8 2 7 1 66 421.949 7

Activity (Go SEA)

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