UCSF

ZINC21640049

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 23 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) 2.98 7.83 -8.11 0 4 0 32 312.392 3
Lo Low (pH 4.5-6) 2.98 8.05 -30.86 1 4 1 34 313.4 3
Lo Low (pH 4.5-6) 2.98 10.23 -51.4 1 4 1 33 313.4 3

Activity (Go SEA)

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