UCSF

ZINC19393008

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 18 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) 1.30 0.55 -58.61 5 5 1 93 244.274 4
Hi High (pH 8-9.5) 1.30 0.16 -16.85 4 5 0 91 243.266 4

Activity (Go SEA)

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