UCSF

ZINC21813597

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 13 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) 3.53 5.83 -3.13 1 2 0 25 243.148 4
Lo Low (pH 4.5-6) 3.53 6.29 -31.69 2 2 1 26 244.156 4

Activity (Go SEA)

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