UCSF

ZINC16443992

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 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) 3.80 7.02 -11.07 1 5 0 51 354.45 5
Lo Low (pH 4.5-6) 3.80 9.13 -40.45 2 5 1 52 355.458 5

Activity (Go SEA)

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