UCSF

ZINC09271040

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 27 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) 1.60 4.19 -61.58 1 7 -1 99 388.421 7
Mid Mid (pH 6-8) 1.60 3.73 -15.4 2 7 0 96 389.429 7
Mid Mid (pH 6-8) 1.02 4.19 -14.76 1 7 0 93 389.429 7

Activity (Go SEA)

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