UCSF

ZINC16635573

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 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) 4.30 5 -16.3 2 8 0 103 476.938 8
Hi High (pH 8-9.5) 4.30 5.09 -49.71 1 8 -1 105 475.93 8

Activity (Go SEA)

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