UCSF

ZINC36997088

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 0.93 2.9 -45.14 2 4 1 51 273.422 2
Mid Mid (pH 6-8) 0.93 1.75 -58 2 4 1 54 273.422 2
Lo Low (pH 4.5-6) 0.93 4.01 -132.82 3 4 2 55 274.43 2

Activity (Go SEA)

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