UCSF

ZINC09271301

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 34 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) 4.19 11.1 -58.97 0 9 -1 128 498.924 6
Mid Mid (pH 6-8) 4.64 11.04 -25.99 1 9 0 126 499.932 5

Activity (Go SEA)

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