UCSF

ZINC08905322

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 36 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) 3.44 10.47 -54.66 0 11 -1 155 508.488 8
Mid Mid (pH 6-8) 2.85 10.77 -19.47 0 11 0 149 509.496 8
Mid Mid (pH 6-8) 3.88 9.83 -25.77 1 11 0 152 509.496 7

Activity (Go SEA)

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