UCSF

ZINC22461295

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 19 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) 5.54 9.92 -7.11 0 1 0 13 267.759 1
Lo Low (pH 4.5-6) 5.54 10.29 -25.88 1 1 1 14 268.767 1

Activity (Go SEA)

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