UCSF

ZINC43262831

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 3.27 3.74 -44.44 4 3 1 51 362.357 7
Hi High (pH 8-9.5) 3.27 2.71 -3.65 3 3 0 49 361.349 7
Mid Mid (pH 6-8) 3.27 4.85 -114.19 5 3 2 52 363.365 7

Activity (Go SEA)

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