UCSF

ZINC22402155

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 26 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) 4.04 9.72 -19.4 2 5 0 67 363.442 5
Hi High (pH 8-9.5) 4.22 8.64 -53.31 1 5 -1 73 362.434 5

Activity (Go SEA)

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