UCSF

ZINC06154015

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2006 31 Yes

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) 2.58 13.43 -21.41 0 9 0 112 415.409 5
Mid Mid (pH 6-8) 2.58 13.91 -60.26 1 9 1 113 416.417 5

Activity (Go SEA)

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