UCSF

ZINC34349785

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 15 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) 4.13 8.43 -28.86 1 1 1 4 204.337 0
Mid Mid (pH 6-8) 4.13 8.06 -3.47 0 1 0 3 203.329 0

Activity (Go SEA)

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