UCSF

ZINC19801740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 26 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) 4.40 8.22 -37.18 2 3 1 28 410.39 3
Mid Mid (pH 6-8) 4.40 6.77 -4.46 1 3 0 27 409.382 3
Mid Mid (pH 6-8) 4.40 9.03 -36.91 2 3 1 28 410.39 3

Activity (Go SEA)

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