UCSF

ZINC04556728

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 2.16 10.57 -79.34 4 6 -1 128 438.61 18
Hi High (pH 8-9.5) 2.16 10.26 -98.09 3 6 -2 127 437.602 18
Lo Low (pH 4.5-6) 2.16 9.45 -48.45 5 6 0 125 439.618 18

Activity (Go SEA)

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