UCSF

ZINC02675857

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2004 27 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) 3.26 4.89 -27.74 3 7 0 103 494.143 5
Hi High (pH 8-9.5) 3.71 2.99 -61.67 2 7 -1 107 493.135 5
Hi High (pH 8-9.5) 3.71 3.26 -47.63 2 7 -1 107 493.135 5

Activity (Go SEA)

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