UCSF

ZINC34967167

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 27 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) 2.44 5.73 -13.17 0 6 0 49 389.521 5
Mid Mid (pH 6-8) 2.44 8.01 -53.61 1 6 1 50 390.529 5
Mid Mid (pH 6-8) 2.44 7.96 -49.5 1 6 1 50 390.529 5

Activity (Go SEA)

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