UCSF

ZINC37784926

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 4.16 9.48 -5 1 3 0 30 267.376 6
Lo Low (pH 4.5-6) 4.16 9.58 -37.32 2 3 1 34 268.384 6

Activity (Go SEA)

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