UCSF

ZINC16735028

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 37 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) 4.36 11.47 -15.74 1 6 0 80 494.522 8
Mid Mid (pH 6-8) 3.77 12.13 -24.61 0 6 0 77 494.522 8
Lo Low (pH 4.5-6) 4.80 11.46 -58.08 2 6 1 81 495.53 7
Lo Low (pH 4.5-6) 3.77 12.43 -58.06 1 6 1 78 495.53 8

Activity (Go SEA)

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