UCSF

ZINC06195087

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 35 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) 4.23 12.14 -58.15 0 8 -1 109 491.545 8
Mid Mid (pH 6-8) 4.23 0.88 -13.36 1 8 0 106 492.553 8
Mid Mid (pH 6-8) 3.65 0.93 -13.67 0 8 0 102 492.553 8

Activity (Go SEA)

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