UCSF

ZINC36777406

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 1.14 3.34 -36 3 3 1 44 222.356 5
Mid Mid (pH 6-8) 1.14 4.07 -88.46 4 3 2 45 223.364 5
Mid Mid (pH 6-8) 1.14 4.92 -32.2 3 3 1 43 222.356 5

Activity (Go SEA)

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