UCSF

ZINC36322383

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 20 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) 1.17 0.11 -7.27 3 5 0 68 280.368 6
Mid Mid (pH 6-8) 1.17 2.31 -38.73 4 5 1 69 281.376 6

Activity (Go SEA)

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