UCSF

ZINC15842111

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2008 22 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) 3.32 8.21 -24.11 0 4 0 42 310.378 2
Lo Low (pH 4.5-6) 3.32 8.5 -29.95 1 4 1 44 311.386 2

Activity (Go SEA)

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