UCSF

ZINC35895356

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 27 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) 3.03 5.08 -6.99 2 5 0 101 420.314 1
Lo Low (pH 4.5-6) 3.03 4.89 -48.88 3 5 1 102 421.322 1
Lo Low (pH 4.5-6) 3.03 7.65 -38.26 3 5 1 102 421.322 1

Activity (Go SEA)

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