UCSF

ZINC42689602

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 18 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) 1.32 5.07 -98.21 4 3 2 35 255.45 4
Lo Low (pH 4.5-6) 1.32 7.32 -182.45 5 3 3 37 256.458 4
Lo Low (pH 4.5-6) 1.32 5.32 -93.36 4 3 2 35 255.45 4

Activity (Go SEA)

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