UCSF

ZINC04314694

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 23 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) 2.60 5.01 -21.9 2 6 0 88 346.437 4
Hi High (pH 8-9.5) 3.06 3.18 -55.54 1 6 -1 91 345.429 4
Hi High (pH 8-9.5) 2.79 3.58 -59.42 1 6 -1 94 345.429 4

Activity (Go SEA)

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