UCSF

ZINC34984184

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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) 2.98 8.44 -94.4 4 7 2 86 460.615 8
Hi High (pH 8-9.5) 2.98 5.5 -8.73 2 7 0 80 458.599 8
Mid Mid (pH 6-8) 2.98 6.2 -42.94 3 7 1 85 459.607 8

Activity (Go SEA)

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