UCSF

ZINC06089498

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 31 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) 4.61 11.74 -15.88 1 6 0 92 451.573 8
Lo Low (pH 4.5-6) 4.61 11.97 -50.77 2 6 1 93 452.581 8

Activity (Go SEA)

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