UCSF

ZINC34951634

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 3.19 9.67 -9.86 3 9 0 115 476.581 7
Mid Mid (pH 6-8) 3.19 11.94 -46.54 4 9 1 117 477.589 7

Activity (Go SEA)

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