UCSF

ZINC36874024

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 2.82 5.65 -38.91 3 4 1 55 298.288 4
Hi High (pH 8-9.5) 2.82 4.01 -6.26 2 4 0 50 297.28 4
Lo Low (pH 4.5-6) 2.82 6.08 -113.54 4 4 2 56 299.296 4

Activity (Go SEA)

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