UCSF

ZINC21143114

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 30 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) 3.60 8.2 -24.45 3 7 0 100 422.51 7
Hi High (pH 8-9.5) 3.67 7.28 -56.76 2 7 -1 107 421.502 7

Activity (Go SEA)

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