UCSF

ZINC09014782

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 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) 1.66 3.91 -66.61 1 10 -1 137 517.58 11
Mid Mid (pH 6-8) 2.11 4.24 -24.34 2 10 0 134 518.588 10

Activity (Go SEA)

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