UCSF

ZINC37833837

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.91 7.9 -59.12 0 5 -1 73 261.301 5
Lo Low (pH 4.5-6) 0.91 5.27 -12.17 1 5 0 71 262.309 5
Lo Low (pH 4.5-6) 0.91 8.34 -51.08 1 5 0 75 262.309 5

Activity (Go SEA)

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