UCSF

ZINC00575646

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 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) 3.03 -0.82 -43.39 2 2 1 29 243.374 3
Lo Low (pH 4.5-6) 3.03 -0.71 -109.15 3 2 2 30 244.382 3

Activity (Go SEA)

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