UCSF

ZINC37787413

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.08 6.35 -7.95 1 4 0 43 258.369 4
Lo Low (pH 4.5-6) 2.08 6.48 -25.99 2 4 1 44 259.377 4
Lo Low (pH 4.5-6) 2.08 7.05 -75.96 3 4 2 45 260.385 4

Activity (Go SEA)

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