UCSF

ZINC34609964

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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) 3.98 1.89 -15.4 1 8 0 100 382.372 8
Hi High (pH 8-9.5) 3.98 2.66 -53.51 0 8 -1 103 381.364 8

Activity (Go SEA)

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