UCSF

ZINC04139571

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 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) 2.82 3.96 -8.77 1 4 0 59 327.203 3
Hi High (pH 8-9.5) 2.82 4.05 -35.8 0 4 -1 61 326.195 3
Lo Low (pH 4.5-6) 2.82 4.24 -41.4 2 4 1 60 328.211 3

Activity (Go SEA)

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