UCSF

ZINC36975486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 5.47 8.32 -41.7 3 2 1 37 325.259 5
Hi High (pH 8-9.5) 5.47 7.15 -3.81 2 2 0 32 324.251 5
Hi High (pH 8-9.5) 5.47 9.08 -27 2 2 0 40 324.251 5

Activity (Go SEA)

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