UCSF

ZINC36996843

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 1.86 6.51 -33.62 2 3 1 29 246.378 3
Mid Mid (pH 6-8) 1.86 5.18 -40.54 2 3 1 33 246.378 3
Lo Low (pH 4.5-6) 1.86 7.43 -111.2 3 3 2 34 247.386 3

Activity (Go SEA)

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