UCSF

ZINC12976915

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 29 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) 2.93 7.78 -34.76 1 7 1 73 394.499 5
Mid Mid (pH 6-8) 2.93 7.41 -12.24 0 7 0 71 393.491 5
Mid Mid (pH 6-8) 2.93 10.16 -87.56 2 7 2 74 395.507 5

Activity (Go SEA)

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