UCSF

ZINC06382343

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 31 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) 4.89 11.81 -65.76 0 5 -1 70 420.529 7
Mid Mid (pH 6-8) 4.89 2.16 -9.38 1 5 0 66 421.537 7
Mid Mid (pH 6-8) 4.31 2.03 -17.92 0 5 0 63 421.537 7

Activity (Go SEA)

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