UCSF

ZINC35515355

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 3.11 9.15 -13.97 0 8 0 81 478.545 8
Mid Mid (pH 6-8) 3.11 11.4 -50.18 1 8 1 83 479.553 8

Activity (Go SEA)

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