UCSF

ZINC12736338

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 33 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) 3.50 7.93 -13.8 1 7 0 69 448.567 8
Mid Mid (pH 6-8) 3.56 9.19 -37.32 2 7 1 73 449.575 8
Mid Mid (pH 6-8) 3.56 7.15 -36.77 2 7 1 74 449.575 8
Mid Mid (pH 6-8) 3.50 10.87 -54.12 2 7 1 70 449.575 8

Activity (Go SEA)

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