UCSF

ZINC20082992

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.56 4.26 -59.03 1 7 -1 93 486.342 6
Mid Mid (pH 6-8) 2.56 6.61 -69.8 2 7 0 94 487.35 6

Activity (Go SEA)

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