UCSF

ZINC36873939

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 1.79 7.1 -52.39 4 3 1 56 266.368 4
Hi High (pH 8-9.5) 1.79 7.34 -8.77 3 3 0 55 265.36 4
Lo Low (pH 4.5-6) 1.79 7.48 -122.44 5 3 2 58 267.376 4

Activity (Go SEA)

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