UCSF

ZINC36877476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.50 6.61 -53.09 4 3 1 56 264.78 4
Hi High (pH 8-9.5) 1.50 6.34 -6.49 3 3 0 55 263.772 4
Lo Low (pH 4.5-6) 1.50 6.38 -123.61 5 3 2 58 265.788 4

Activity (Go SEA)

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