UCSF

ZINC08687860

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 27 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) 2.62 7.17 -19.59 2 6 0 71 405.545 7
Hi High (pH 8-9.5) 3.93 7.06 -18.32 2 6 0 73 405.545 6
Hi High (pH 8-9.5) 3.93 7.74 -13.43 2 6 0 73 405.545 6
Mid Mid (pH 6-8) 3.93 7.12 -18.43 2 6 0 73 405.545 6

Activity (Go SEA)

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