UCSF

ZINC16731449

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 32 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) 4.61 13.37 -66.09 1 5 0 65 438.543 9
Hi High (pH 8-9.5) 4.61 11.15 -57.45 0 5 -1 64 437.535 9
Mid Mid (pH 6-8) 5.06 12.25 -54.47 2 5 1 62 439.551 8
Mid Mid (pH 6-8) 4.03 13.23 -55.7 1 5 1 59 439.551 9

Activity (Go SEA)

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