UCSF

ZINC18033097

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 31 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) 2.72 7.42 -74.2 2 7 0 94 424.497 8
Hi High (pH 8-9.5) 2.72 4.88 -64.47 1 7 -1 93 423.489 8
Mid Mid (pH 6-8) 2.72 7.86 -46.9 3 7 1 92 425.505 8
Mid Mid (pH 6-8) 2.14 8.18 -49.52 2 7 1 88 425.505 8

Activity (Go SEA)

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