UCSF

ZINC09370868

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 32 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) 4.57 11.05 -62.27 0 6 -1 79 428.464 6
Mid Mid (pH 6-8) 3.98 1.24 -17.08 0 6 0 72 429.472 6
Mid Mid (pH 6-8) 5.01 8.96 -26.67 1 6 0 76 429.472 5

Activity (Go SEA)

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