UCSF

ZINC04268064

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 30 No

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) -3.25 -5.32 -250.91 4 12 -4 229 492.442 2
Hi High (pH 8-9.5) -3.25 -4.32 -395.49 3 12 -5 232 491.434 2
Lo Low (pH 4.5-6) -3.25 -5.86 -159.89 4 12 -3 229 493.45 2
Lo Low (pH 4.5-6) -3.25 -6.4 -84.25 4 12 -2 229 494.458 2

Activity (Go SEA)

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