UCSF

ZINC04556800

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 34 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) 0.79 8.81 -101.64 5 8 -1 157 493.646 19
Hi High (pH 8-9.5) 0.79 8.49 -95.63 4 8 -2 156 492.638 19
Lo Low (pH 4.5-6) 0.79 7.69 -69.53 6 8 0 154 494.654 19

Activity (Go SEA)

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