UCSF

ZINC34858018

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 29 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) 4.26 6.53 -36.62 4 6 1 89 389.431 5
Mid Mid (pH 6-8) 4.26 6 -12.77 3 6 0 88 388.423 5

Activity (Go SEA)

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