UCSF

ZINC36988838

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 3.13 8.12 -78.06 3 4 2 34 264.417 5
Hi High (pH 8-9.5) 3.13 7.73 -38.78 2 4 1 33 263.409 5

Activity (Go SEA)

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