UCSF

ZINC19928817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 3.72 8.52 -57.59 0 7 -1 82 493.555 10
Mid Mid (pH 6-8) 3.72 10.86 -71.03 1 7 0 83 494.563 10

Activity (Go SEA)

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