UCSF

ZINC08905314

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 33 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) 4.55 12.25 -76.14 1 6 0 74 450.579 8
Hi High (pH 8-9.5) 4.55 9.73 -59.18 0 6 -1 73 449.571 8
Mid Mid (pH 6-8) 3.96 12.09 -46.74 1 6 1 68 451.587 8
Mid Mid (pH 6-8) 4.99 12.06 -44.23 2 6 1 71 451.587 7

Activity (Go SEA)

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