UCSF

ZINC15935036

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 37 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) 5.71 10.17 -16.42 1 6 0 59 506.528 7
Hi High (pH 8-9.5) 5.90 10.08 -24.82 1 6 0 67 506.528 7
Mid Mid (pH 6-8) 5.71 10.55 -28.45 2 6 1 61 507.536 7

Activity (Go SEA)

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