UCSF

ZINC13427134

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 35 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) 3.12 7.33 -60.28 0 8 -1 91 479.553 9
Mid Mid (pH 6-8) 3.57 8.59 -63.58 2 8 1 90 481.569 8
Mid Mid (pH 6-8) 3.12 9.67 -77.11 1 8 0 93 480.561 9

Activity (Go SEA)

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