UCSF

ZINC20078749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 15 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) 0.56 4.5 -28.74 2 3 1 32 204.297 3
Mid Mid (pH 6-8) 0.56 7.04 -95.94 3 3 2 33 205.305 3
Mid Mid (pH 6-8) 0.56 7.1 -41.75 2 3 1 32 204.297 3

Activity (Go SEA)

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