UCSF

ZINC07623464

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2006 27 No

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) 3.59 10.69 -53.27 3 5 1 63 368.501 7
Hi High (pH 8-9.5) 3.59 8.48 -18.07 2 5 0 61 367.493 7

Activity (Go SEA)

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