UCSF

ZINC16741550

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 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) 3.95 11.17 -63.85 1 7 0 83 505.398 8
Hi High (pH 8-9.5) 3.95 8.97 -53.49 0 7 -1 82 504.39 8
Mid Mid (pH 6-8) 4.40 10.06 -54.55 2 7 1 81 506.406 7
Mid Mid (pH 6-8) 3.37 11.04 -54.09 1 7 1 77 506.406 8

Activity (Go SEA)

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