UCSF

ZINC39856678

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 6.67 13.99 -17.83 1 4 0 51 408.567 8
Hi High (pH 8-9.5) 6.86 11.6 -46.86 0 4 -1 58 407.559 8

Activity (Go SEA)

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