UCSF

ZINC06181510

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 32 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) 2.21 -4.12 -39.01 2 8 0 108 457.552 9
Hi High (pH 8-9.5) 3.51 -5.07 -45.93 1 8 -1 110 456.544 9

Activity (Go SEA)

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