UCSF

ZINC12427904

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 20 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) -1.41 -3.6 -18.5 2 9 0 111 281.272 4
Mid Mid (pH 6-8) -1.41 -3.32 -56.17 3 9 1 112 282.28 4

Activity (Go SEA)

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