UCSF

ZINC37265374

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 16 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) 2.63 5.76 -10.86 3 3 0 51 237.372 5
Lo Low (pH 4.5-6) 2.63 6.11 -40.98 4 3 1 52 238.38 5

Activity (Go SEA)

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