UCSF

ZINC13690270

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 2.67 7.99 -64.33 0 7 -1 82 453.49 8
Mid Mid (pH 6-8) 3.12 9.04 -57.05 2 7 1 81 455.506 7
Mid Mid (pH 6-8) 2.09 10.22 -57.09 1 7 1 77 455.506 8
Mid Mid (pH 6-8) 2.67 10.32 -76.25 1 7 0 83 454.498 8

Activity (Go SEA)

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