UCSF

ZINC09129897

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 28 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) 0.74 -1.41 -30.7 3 11 0 147 388.384 7
Mid Mid (pH 6-8) 0.74 -1.13 -66.37 4 11 1 148 389.392 7

Activity (Go SEA)

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