UCSF

ZINC19842211

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 22 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) 3.07 7.08 -34.42 1 4 1 26 305.442 5
Hi High (pH 8-9.5) 3.07 4.82 -4.68 0 4 0 25 304.434 5
Mid Mid (pH 6-8) 3.07 7.14 -32.3 1 4 1 26 305.442 5

Activity (Go SEA)

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