UCSF

ZINC36996582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 3.78 8.88 -32.37 2 2 1 16 279.835 3
Hi High (pH 8-9.5) 3.78 6.64 -1.61 1 2 0 15 278.827 3
Lo Low (pH 4.5-6) 3.78 9.99 -113.08 3 2 2 21 280.843 3

Activity (Go SEA)

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