UCSF

ZINC09969613

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 30 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) 3.63 9.01 -42.15 0 6 -1 83 420.466 8
Mid Mid (pH 6-8) 4.08 -0.11 -26.31 1 6 0 79 421.474 7
Mid Mid (pH 6-8) 3.05 0.09 -17.75 0 6 0 76 421.474 8

Activity (Go SEA)

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