UCSF

ZINC01379760

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 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) 1.90 5.72 -27.38 2 8 0 96 375.454 5
Hi High (pH 8-9.5) 2.08 4.01 -62.65 1 8 -1 103 374.446 5

Activity (Go SEA)

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