UCSF

ZINC36996512

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 15 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) 1.79 6.02 -33.66 2 2 1 16 227.397 2
Hi High (pH 8-9.5) 1.79 3.77 -2.15 1 2 0 15 226.389 2
Lo Low (pH 4.5-6) 1.79 7.16 -113.15 3 2 2 21 228.405 2

Activity (Go SEA)

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