UCSF

ZINC37856271

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.10 -0.01 -40.93 1 5 -1 82 317.799 3
Mid Mid (pH 6-8) 3.10 -0.68 -42.06 1 5 -1 81 317.799 3
Mid Mid (pH 6-8) 2.65 2.29 -9.63 2 5 0 79 318.807 3
Mid Mid (pH 6-8) 3.10 0.11 -99.37 0 5 -2 84 316.791 3

Activity (Go SEA)

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