UCSF

ZINC19790132

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 24 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) 0.76 8.55 -75.59 1 8 0 111 333.344 6
Hi High (pH 8-9.5) 0.76 6.01 -55.17 0 8 -1 109 332.336 6

Activity (Go SEA)

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