UCSF

ZINC34984062

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 1.86 8.22 -138.65 0 4 -2 80 210.229 4
Lo Low (pH 4.5-6) 1.86 6.28 -50.41 1 4 -1 77 211.237 4
Lo Low (pH 4.5-6) 1.86 6.29 -59.03 1 4 -1 77 211.237 4

Activity (Go SEA)

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