UCSF

ZINC36350992

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 32 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) 3.41 9.93 -15.94 1 7 0 84 460.644 8
Lo Low (pH 4.5-6) 3.41 10.21 -40.27 2 7 1 86 461.652 8

Activity (Go SEA)

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